In [76]:
# http://metacyc.org/META/class-instances?object=Compounds
# Smart Table
# Add the following columns
# export with weblinks
In [1]:
import sys,os
sys.path.insert(0,'/global/project/projectdirs/metatlas/anaconda/lib/python2.7/site-packages' )
from metatlas import metatlas_objects as metob
import csv
curr_ld_lib_path = ''
os.environ['LD_LIBRARY_PATH'] = curr_ld_lib_path + ':/project/projectdirs/openmsi/jupyterhub_libs/boost_1_55_0/lib' + ':/project/projectdirs/openmsi/jupyterhub_libs/lib'
import sys
# sys.path.remove('/anaconda/lib/python2.7/site-packages')
sys.path.append('/global/project/projectdirs/openmsi/jupyterhub_libs/anaconda/lib/python2.7/site-packages')
sys.path.insert(0,'/project/projectdirs/openmsi/projects/meta-iq/pactolus/pactolus' )
from rdkit import Chem
# from rdkit.Chem.rdMolDescriptors import ExactMolWt
from rdkit.Chem import Descriptors
from rdkit.Chem import rdMolDescriptors
from rdkit.Chem import AllChem
In [2]:
metob.Compound()
Out[2]:
{'creation_time': '2015-12-14T23:06:46',
'description': u'No description',
'formula': u'',
'functional_sets': [],
'head_id': u'c52a2a573175483e87d9398d894baf1e',
'inchi': u'',
'inchi_key': u'',
'last_modified': '2015-12-14T23:06:46',
'mono_isotopic_molecular_weight': 0.0,
'name': u'Untitled',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'c52a2a573175483e87d9398d894baf1e',
'url': u'',
'username': u'bpb'}
In [2]:
""" contribution from Hans de Winter """
def _InitialiseNeutralisationReactions():
patts= (
# Imidazoles
('[n+;H]','n'),
# Amines
('[N+;!H0]','N'),
# Carboxylic acids and alcohols
('[$([O-]);!$([O-][#7])]','O'),
# Thiols
('[S-;X1]','S'),
# Sulfonamides
('[$([N-;X2]S(=O)=O)]','N'),
# Enamines
('[$([N-;X2][C,N]=C)]','N'),
# Tetrazoles
('[n-]','[nH]'),
# Sulfoxides
('[$([S-]=O)]','S'),
# Amides
('[$([N-]C=O)]','N'),
)
return [(Chem.MolFromSmarts(x),Chem.MolFromSmiles(y,False)) for x,y in patts]
_reactions=None
def NeutraliseCharges(mol, reactions=None):
global _reactions
if reactions is None:
if _reactions is None:
_reactions=_InitialiseNeutralisationReactions()
reactions=_reactions
# mol = Chem.MolFromSmiles(smiles)
replaced = False
for i,(reactant, product) in enumerate(reactions):
while mol.HasSubstructMatch(reactant):
replaced = True
rms = AllChem.ReplaceSubstructs(mol, reactant, product)
rms_smiles = Chem.MolToSmiles(rms[0])
mol = Chem.MolFromSmiles(rms_smiles)
if replaced:
return (mol, True) #Chem.MolToSmiles(mol,True)
else:
return (mol, False)
In [5]:
# datafile = '/global/homes/b/bpb/notebooks/bpb_data_analysis_metatlas/150624 ISTDs.txt'
# datafile = '/global/homes/b/bpb/notebooks/atlas_finfo_to_be_loaded/MetaCyc missing compounds (1).txt'
datafile = '/global/homes/b/bpb/notebooks/atlas_finfo_to_be_loaded/missing compounds not in pubchem.txt'
with open(datafile, 'rUb') as f:
new_compounds = list(csv.DictReader(f, dialect='excel-tab'))
print new_compounds[0].keys()
new_compounds
['inchi', 'inchi_key', 'name', 'description']
Out[5]:
[{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C10H13N5O5/c11-8-5-9(13-3-15(8)19)14(2-12-5)10-7(18)6(17)4(1-16)20-10/h2-4,6-7,10-11,16-19H,1H2/b11-8-\n',
'inchi_key': 'QHFLZHVITNUFMV-FLIBITNWSA-N',
'name': '6H-Purin-6-imine, 1,9-dihydro-1-hydroxy-9-pentofuranosyl-, (6Z)-\n(6Z)-6-Imino-9-pentofuranosyl-6,9-dihydro-1H-purin-1-ol\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C10H14O2/c1-9(2)6-4-7(11)10(9,3)8(12)5-6/h6H,4-5H2,1-3H3/t6-,10+\n',
'inchi_key': 'PCEVUTCFZAQRKV-XGAOUMNUSA-N',
'name': '1,7,7-Trimethylbicyclo[2.2.1]heptane-2,6-dione\nBicyclo[2.2.1]heptane-2,6-dione, 1,7,7-trimethyl-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C10H14O3/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h6-7,12H,2-5H2,1H3\n',
'inchi_key': 'GQKAFRQIXWEJOJ-UHFFFAOYSA-N',
'name': '8H-2-Benzopyran-8-one, 3,4,4a,5,6,7-hexahydro-1-hydroxy-3-methyl-\n1-Hydroxy-3-methyl-3,4,4a,5,6,7-hexahydro-8H-isochromen-8-one\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C10H16/c1-9(2)6-4-7-8(5-6)10(7,9)3/h6-8H,4-5H2,1-3H3/t6-,7?,8?,10+\n',
'inchi_key': 'RRBYUSWBLVXTQN-JYCPTSIYSA-N',
'name': '1,7,7-Trimethyltricyclo[2.2.1.0~2,6~]heptane\nTricyclo[2.2.1.0~2,6~]heptane, 1,7,7-trimethyl-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C10H16N4O3/c1-14-5-7(13-6-14)4-8(12)10(16)17-9(15)2-3-11/h5-6,8H,2-4,11-12H2,1H3\n',
'inchi_key': 'QAWKDPXGVJMDHM-UHFFFAOYSA-N',
'name': '3-Aminopropanoyl 1-methyl-L-histidinate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3/t8?,10-\n',
'inchi_key': 'WEEGYLXZBRQIMU-GDGYMVOYSA-N',
'name': '1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane\n2-Oxabicyclo[2.2.2]octane, 1,3,3-trimethyl-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C11H10N4O4/c1-19-11(16)13-12-6-8-7-14(17)9-4-2-3-5-10(9)15(8)18/h2-7H,1H3,(H,13,16)\n',
'inchi_key': 'OVGGLBAWFMIPPY-UHFFFAOYSA-N',
'name': 'Methyl (2E)-2-[(1,4-dioxido-2-quinoxalinyl)methylene]hydrazinecarboxylate\nHydrazinecarboxylic acid, 2-[(1,4-dioxido-2-quinoxalinyl)methylene]-, methyl ester, (2E)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C11H8O6/c1-3-2-4(12)5-6(7(3)13)9(15)11(17)10(16)8(5)14/h2,12-13,16-17H,1H3\n',
'inchi_key': 'WXLPYHMWBMMBOS-UHFFFAOYSA-N',
'name': '2,3,5,8-Tetrahydroxy-6-methyl-1,4-naphthoquinone\n1,4-Naphthalenedione, 2,3,5,8-tetrahydroxy-6-methyl-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C12H11N3O/c1-9-7-8-11(16)12(13-9)15-14-10-5-3-2-4-6-10/h2-8,16H,1H3\n',
'inchi_key': 'LOCPVWIREQIGNQ-UHFFFAOYSA-N',
'name': '3-Pyridinol, 6-methyl-2-(2-phenyldiazenyl)-\n6-Methyl-2-(phenyldiazenyl)-3-pyridinol\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C12H12N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,14H,6-7H2,1H3\n',
'inchi_key': 'CWOYLIJQLSNRRN-UHFFFAOYSA-N',
'name': '1-Methyl-4,9-dihydro-3H-beta-carboline\n3H-Pyrido[3,4-b]indole, 4,9-dihydro-1-methyl-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3/t9-,10+,11-,12-\n',
'inchi_key': 'BUGYDGFZZOZRHP-CDECOKDKSA-N',
'name': '(1r,3R,5S,7r)-3,5-Dimethyl-1-adamantanamine\nTricyclo[3.3.1.1~3,7~]decan-1-amine, 3,5-dimethyl-, (3R,5S)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C13H10N2O2/c1-17-13(16)12-11-9(6-7-14-12)8-4-2-3-5-10(8)15-11/h2-7,14H,1H3\n',
'inchi_key': 'JFTNFUWYCWYMKW-UHFFFAOYSA-N',
'name': '2H-Pyrido[3,4-b]indole-1-carboxylic acid, methyl ester\nMethyl 2H-beta-carboline-1-carboxylate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C13H10N2O3/c16-10-7-5-9(6-8-10)14-15-12-4-2-1-3-11(12)13(17)18/h1-8,16H,(H,17,18)\n',
'inchi_key': 'DWQOTEPNRWVUDA-UHFFFAOYSA-N',
'name': '2-[(4-Hydroxyphenyl)diazenyl]benzoic acid\nBenzoic acid, 2-[2-(4-hydroxyphenyl)diazenyl]-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C13H11N3O/c1-14-13(17)11-6-9-8-4-2-3-5-10(8)16-12(9)7-15-11/h2-7,15H,1H3,(H,14,17)\n',
'inchi_key': 'LTODWURWNDCSOY-UHFFFAOYSA-N',
'name': 'N-Methyl-2H-beta-carboline-3-carboxamide\n2H-Pyrido[3,4-b]indole-3-carboxamide, N-methyl-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C13H11N3O2/c17-12-4-2-1-3-11(12)9-15-16-13(18)10-5-7-14-8-6-10/h1-9,17H,(H,16,18)\n',
'inchi_key': 'VBIZUNYMJSPHBH-UHFFFAOYSA-N',
'name': "N'-(2-Hydroxybenzylidene)isonicotinohydrazide\n4-Pyridinecarboxylic acid, 2-[(2-hydroxyphenyl)methylene]hydrazide\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C13H11NO4/c1-16-11-7-3-4-9(15)12(17-2)10(7)14-13-8(11)5-6-18-13/h3-6,15H,1-2H3\n',
'inchi_key': 'LJKPBWHZRNQEMO-UHFFFAOYSA-N',
'name': 'Furo[2,3-b]quinolin-7-ol, 4,8-dimethoxy-\n4,8-Dimethoxyfuro[2,3-b]quinolin-7-ol\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C13H14N2O/c1-8-13-10(5-6-14-8)11-7-9(16-2)3-4-12(11)15-13/h3-4,7,15H,5-6H2,1-2H3\n',
'inchi_key': 'HMBHRMFLDKKSCT-UHFFFAOYSA-N',
'name': '3H-Pyrido[3,4-b]indole, 4,9-dihydro-6-methoxy-1-methyl-\n6-Methoxy-1-methyl-4,9-dihydro-3H-beta-carboline\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,15H,1-3H3,(H,16,17)/t5-,7-/m1/s1\n',
'inchi_key': 'CQIUKKVOEOPUDV-IYSWYEEDSA-N',
'name': '(3R,4S)-8-Hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid\n3H-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, (3R,4S)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C14H10N2O2/c17-12-8-4-2-6-10(12)13-15-11-7-3-1-5-9(11)14(18)16-13/h1-8,17H,(H,15,16,18)\n',
'inchi_key': 'OVVWPYNVWLHEGE-UHFFFAOYSA-N',
'name': '4(3H)-Quinazolinone, 2-(2-hydroxyphenyl)-\n2-(2-Hydroxyphenyl)-4(1H)-quinazolinone\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C14H12N2O/c1-3-10-14-13(12(17-2)8-15-10)9-6-4-5-7-11(9)16-14/h3-8,15H,1H2,2H3\n',
'inchi_key': 'KMXKUZAFSGQYGL-UHFFFAOYSA-N',
'name': '4-Methoxy-1-vinyl-2H-beta-carboline\n2H-Pyrido[3,4-b]indole, 1-ethenyl-4-methoxy-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C14H12N2O2/c1-2-18-14(17)12-7-10-9-5-3-4-6-11(9)16-13(10)8-15-12/h3-8,15H,2H2,1H3\n',
'inchi_key': 'QWWODAPIEHJFQG-UHFFFAOYSA-N',
'name': '2H-Pyrido[3,4-b]indole-3-carboxylic acid, ethyl ester\nEthyl 2H-beta-carboline-3-carboxylate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C14H13N3O3/c1-20-13-8-10(2-3-12(13)18)9-16-17-14(19)11-4-6-15-7-5-11/h2-9,18H,1H3,(H,17,19)\n',
'inchi_key': 'PSWOBQSIXLVPDV-UHFFFAOYSA-N',
'name': "4-Pyridinecarboxylic acid, 2-[(4-hydroxy-3-methoxyphenyl)methylene]hydrazide\nN'-(4-Hydroxy-3-methoxybenzylidene)isonicotinohydrazide\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C14H21N6O9P/c15-6(1-8(21)22)2-27-30(25,26)28-3-7-10(23)11(24)14(29-7)20-5-19-9-12(16)17-4-18-13(9)20/h4-7,10-11,14,23-24H,1-3,15H2,(H,21,22)(H,25,26)(H2,16,17,18)\n',
'inchi_key': 'YPSDLXHBBWUOTP-UHFFFAOYSA-N',
'name': "5'-O-{[(2S)-2-Amino-3-carboxypropoxy](hydroxy)phosphoryl}adenosine\nAdenosine, 5'-O-[[(2S)-2-amino-3-carboxypropoxy]hydroxyphosphinyl]-\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C14H25NO11/c1-3(17)15-5-7(19)6(18)4(2-16)25-14(5)26-13-11(23)9(21)8(20)10(22)12(13)24/h4-14,16,18-24H,2H2,1H3,(H,15,17)/t4-,5-,6-,7-,8-,9-,10+,11+,12+,13-,14-/m1/s1\n',
'inchi_key': 'MRKTUVZZZRUSQR-DNSWDBFXSA-N',
'name': '2,3,4,5,6-Pentahydroxycyclohexyl 2-acetamido-2-deoxyhexopyranoside\nHexopyranoside, 2,3,4,5,6-pentahydroxycyclohexyl 2-(acetylamino)-2-deoxy-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C14H8N2O2/c17-11-3-1-2-10-13(11)8-6-7-15-9-4-5-12(18)16(10)14(8)9/h1-7,17H\n',
'inchi_key': 'KXFAUPPCQVBDBN-UHFFFAOYSA-N',
'name': '6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one, 11-hydroxy-\n11-Hydroxy-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C15H10N2O3/c1-20-14-11-12-9(6-7-16-11)8-4-2-3-5-10(8)17(12)15(19)13(14)18/h2-7,18H,1H3\n',
'inchi_key': 'PGFKZUOYIFDMQJ-UHFFFAOYSA-N',
'name': '6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one, 5-hydroxy-4-methoxy-\n5-Hydroxy-4-methoxy-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)14-6-5-12-13(18)7-11(17)8-15(12)19-14/h1-8H,(H2-,16,17,18)\n',
'inchi_key': 'ZKMZBAABQFUXFE-UHFFFAOYSA-N',
'name': '5,7-Dihydroxy-2-(4-hydroxyphenyl)chromenium\n1-Benzopyrylium, 5,7-dihydroxy-2-(4-hydroxyphenyl)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C15H14O3/c1-9(2)7-8-12-13(16)10-5-3-4-6-11(10)14(17)15(12)18/h3-7,18H,8H2,1-2H3\n',
'inchi_key': 'CIEYTVIYYGTCCI-UHFFFAOYSA-N',
'name': '1,4-Naphthalenedione, 2-hydroxy-3-(3-methyl-2-buten-1-yl)-\n2-Hydroxy-3-(3-methyl-2-buten-1-yl)-1,4-naphthoquinone\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C15H24O/c1-10-5-7-15(4)13(9-10)16-12-6-8-14(15,3)11(12)2/h9,11-13H,5-8H2,1-4H3\n',
'inchi_key': 'FXELQRCNOUMUMW-UHFFFAOYSA-N',
'name': '(12xi)-Trichothec-9-ene\nTrichothec-9-ene, (2alpha,12xi)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C15H24O/c1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3/h5,11-13,16H,4,6-9H2,1-3H3/b10-5-/t11?,12?,13?,14?,15-\n',
'inchi_key': 'PDEQKAVEYSOLJX-NVFXPZDQSA-N',
'name': '(2Z)-5-(2,3-Dimethyltricyclo[2.2.1.0~2,6~]hept-3-yl)-2-methyl-2-penten-1-ol\n2-Penten-1-ol, 5-(2,3-dimethyltricyclo[2.2.1.0~2,6~]hept-3-yl)-2-methyl-, (2Z)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C15H34N9O8PS/c1-9(12(25)23-11(14(27)28)6-2-3-7-20-15(17)18)22-13(26)10(16)5-4-8-21-33(19,29)24-34(30,31)32/h9-11H,2-8,16H2,1H3,(H,22,26)(H,23,25)(H,27,28)(H4,17,18,20)(H,30,31,32)(H4,19,21,24,29)\n',
'inchi_key': 'QDAOSMKOZCCWLJ-UHFFFAOYSA-N',
'name': 'N~5~-[Amino(sulfoamino)phosphoryl]-L-ornithyl-L-alanyl-N~6~-carbamimidoyl-L-lysine\nL-Lysine, N~5~-[amino(sulfoamino)phosphinyl]-L-ornithyl-L-alanyl-N~6~-(aminoiminomethyl)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,19,21-22H\n',
'inchi_key': 'JBFAMTBDRIBCKO-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C16H10N2O2/c19-15-10-6-2-4-8-12(10)17-14(15)13-9-5-1-3-7-11(9)18-16(13)20/h1-8,18,20H\n',
'inchi_key': 'JNLNPCNGMHKCKO-UHFFFAOYSA-N',
'name': "3H-Indol-3-one, 2-(2-hydroxy-1H-indol-3-yl)-\n2'-Hydroxy-1'H,3H-2,3'-biindol-3-one\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)\n',
'inchi_key': 'ANTSCNMPPGJYLG-UHFFFAOYSA-N',
'name': '3H-1,4-Benzodiazepin-2-amine, 7-chloro-N-methyl-5-phenyl-, 4-oxide\n7-Chloro-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine 4-oxide\n(2Z)-7-Chloro-N-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-imine 4-oxide\nMethanamine, N-[(2Z)-7-chloro-1,3-dihydro-4-oxido-5-phenyl-2H-1,4-benzodiazepin-2-ylidene]-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C16H14O6/c1-9-7-13(19)15(16(20)22-9)12(18)6-4-10-3-5-11(17)14(8-10)21-2/h3-8,17,19H,1-2H3/b6-4+\n',
'inchi_key': 'LRCLIDIMQAJTGZ-GQCTYLIASA-N',
'name': '4-Hydroxy-3-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-6-methyl-2H-pyran-2-one\n2H-Pyran-2-one, 4-hydroxy-3-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-6-methyl-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C16H15F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,13,22H,1-3H3/b15-12-\n',
'inchi_key': 'YTMCTWONBYRCCU-QINSGFPZSA-N',
'name': 'Methanol, 1-[2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3(4H)-pyridinylidene]-1-methoxy-, (E)-\n(E)-{2,6-Dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3(4H)-pyridinylidene}(methoxy)methanol\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C16H15F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,13,22H,1-3H3/b15-12+\n',
'inchi_key': 'YTMCTWONBYRCCU-NTCAYCPXSA-N',
'name': '(Z)-{2,6-Dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3(4H)-pyridinylidene}(methoxy)methanol\nMethanol, 1-[2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3(4H)-pyridinylidene]-1-methoxy-, (Z)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C16H20N4O5/c1-6-10(17)13(22)9-7(5-25-15(18)23)16(24-3)14-8(19(14)2)4-20(16)11(9)12(6)21/h7-8,14,17,21H,4-5H2,1-3H3,(H2,18,23)\n',
'inchi_key': 'RLZIADDATOMNNY-UHFFFAOYSA-N',
'name': "Azirino[2',3':3,4]pyrrolo[1,2-a]indol-7(1H)-one, 8-[[(aminocarbonyl)oxy]methyl]-1a,2,6,8,8a,8b-hexahydro-4-hydroxy-6-imino-8a-methoxy-1,5-dimethyl-\n(4-Hydroxy-6-imino-8a-methoxy-1,5-dimethyl-7-oxo-1,1a,2,6,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl carbamate\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C16H23N5O/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21)\n',
'inchi_key': 'IKBKZGMPCYNSLU-UHFFFAOYSA-N',
'name': 'Hydrazinecarboximidamide, 2-[(5-methoxy-1H-indol-3-yl)methylene]-N-pentyl-\n2-[(5-Methoxy-1H-indol-3-yl)methylene]-N-pentylhydrazinecarboximidamide\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C17H15N3O6/c21-14-6-5-12(9-13(14)17(25)26)20-19-11-3-1-10(2-4-11)16(24)18-8-7-15(22)23/h1-6,9,21H,7-8H2,(H,18,24)(H,22,23)(H,25,26)\n',
'inchi_key': 'IPOKCKJONYRRHP-UHFFFAOYSA-N',
'name': '5-({4-[(2-Carboxyethyl)carbamoyl]phenyl}diazenyl)-2-hydroxybenzoic acid\nBenzoic acid, 5-[2-[4-[[(2-carboxyethyl)amino]carbonyl]phenyl]diazenyl]-2-hydroxy-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C17H16N2OS/c20-14-10-18-16(11-6-2-1-3-7-11)15-12-8-4-5-9-13(12)21-17(15)19-14/h1-3,6-7H,4-5,8-10H2,(H,19,20)\n',
'inchi_key': 'AIZFEOPQVZBNGH-UHFFFAOYSA-N',
'name': '5-Phenyl-1,3,6,7,8,9-hexahydro-2H-[1]benzothieno[2,3-e][1,4]diazepin-2-one\n2H-[1]Benzothieno[2,3-e]-1,4-diazepin-2-one, 1,3,6,7,8,9-hexahydro-5-phenyl-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,20H,1-4H3/b16-13+\n',
'inchi_key': 'HZAYOBLZTKMKJT-DTQAZKPQSA-N',
'name': '3-Pyridinecarboxylic acid, 4,5-dihydro-5-(hydroxymethoxymethylene)-2,6-dimethyl-4-(2-nitrophenyl)-, methyl ester, (5Z)-\nMethyl (5Z)-5-[hydroxy(methoxy)methylene]-2,6-dimethyl-4-(2-nitrophenyl)-4,5-dihydro-3-pyridinecarboxylate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3\n',
'inchi_key': 'KVWDHTXUZHCGIO-UHFFFAOYSA-N',
'name': '10H-Thieno[2,3-b][1,5]benzodiazepine, 2-methyl-4-(4-methyl-1-piperazinyl)-\n2-Methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepine\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15?,16?/m1/s1\n',
'inchi_key': 'STECJAGHUSJQJN-MSIGHWPWSA-N',
'name': 'Benzeneacetic acid, alpha-(hydroxymethyl)-, (1R,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl ester, (alphaS)-\n(1R,5S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl (2S)-3-hydroxy-2-phenylpropanoate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C17H21NO5/c1-18(21)13-7-11(8-14(18)16-15(13)23-16)22-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12?,13-,14-,15-,16+,18?/m0/s1\n',
'inchi_key': 'GSYQNAMOFFWAPF-LPCKZPPKSA-N',
'name': 'Benzeneacetic acid, alpha-(hydroxymethyl)-, 9-methyl-9-oxido-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl ester\n9-Methyl-9-oxido-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl tropate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16-/m1/s1\n',
'inchi_key': 'RKUNBYITZUJHSG-FXUDXRNXSA-N',
'name': '(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate\nBenzeneacetic acid, alpha-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (alphaS)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?\n',
'inchi_key': 'RKUNBYITZUJHSG-SPUOUPEWSA-N',
'name': 'Benzeneacetic acid, alpha-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester\n(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl tropate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C17H23NO4/c18-11-13-1-6-14(7-2-13)17(21)22-15-8-3-12(4-9-15)5-10-16(19)20/h3-4,8-9,13-14H,1-2,5-7,10-11,18H2,(H,19,20)/t13-,14-\n',
'inchi_key': 'FHRSHSOEWXUORL-HDJSIYSDSA-N',
'name': '3-[4-({[trans-4-(Aminomethyl)cyclohexyl]carbonyl}oxy)phenyl]propanoic acid\nBenzenepropanoic acid, 4-[[[trans-4-(aminomethyl)cyclohexyl]carbonyl]oxy]-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C17H23NO4/c18-11-13-1-6-14(7-2-13)17(21)22-15-8-3-12(4-9-15)5-10-16(19)20/h3-4,8-9,13-14H,1-2,5-7,10-11,18H2,(H,19,20)/t13?,14-\n',
'inchi_key': 'FHRSHSOEWXUORL-XPIONCDUSA-N',
'name': '3-[4-({[trans-4-(Aminomethyl)cyclohexyl]carbonyl}oxy)phenyl]propanoic acid\nBenzenepropanoic acid, 4-[[[trans-4-(aminomethyl)cyclohexyl]carbonyl]oxy]-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C18H14N2O7/c1-18(27)16(25)11-9(15(24)17(18)26)8-10(12(11)20-19)14(23)7-5(13(8)22)3-2-4-6(7)21/h2-4,15-17,24-27H,1H3,(H-,21,22,23)\n',
'inchi_key': 'PBAYJNKURMMTNH-UHFFFAOYSA-N',
'name': '1H-Benzo[b]fluorene-11-diazonium, 2,3,4,9-tetrahydro-1,2,3,4,5,10-hexahydroxy-2-methyl-9-oxo-, inner salt\n11-Diazonio-1,2,3,4,10-pentahydroxy-2-methyl-9-oxo-2,3,4,9-tetrahydro-1H-benzo[b]fluoren-5-olate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)\n',
'inchi_key': 'NCEXYHBECQHGNR-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)/b21-20+\n',
'inchi_key': 'NCEXYHBECQHGNR-QZQOTICOSA-N',
'name': '2-Hydroxy-5-{(E)-[4-(2-pyridinylsulfamoyl)phenyl]diazenyl}benzoic acid\nBenzoic acid, 2-hydroxy-5-[(E)-2-[4-[(2-pyridinylamino)sulfonyl]phenyl]diazenyl]-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,22-24H,1-4H3/t18-/m1/s1\n',
'inchi_key': 'ICTZCAHDGHPRQR-GOSISDBHSA-N',
'name': '(9bR)-2,6-Diacetyl-1,7,9-trihydroxy-8,9b-dimethyldibenzo[b,d]furan-3(9bH)-one\n3(9bH)-Dibenzofuranone, 2,6-diacetyl-1,7,9-trihydroxy-8,9b-dimethyl-, (9bR)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C18H19Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8,15,23H,5H2,1-4H3/b18-14+\n',
'inchi_key': 'FFVFHTOPUHZSGD-NBVRZTHBSA-N',
'name': 'Methyl 4-(2,3-dichlorophenyl)-5-[ethoxy(hydroxy)methylene]-2,6-dimethyl-4,5-dihydro-3-pyridinecarboxylate\n3-Pyridinecarboxylic acid, 4-(2,3-dichlorophenyl)-5-(ethoxyhydroxymethylene)-4,5-dihydro-2,6-dimethyl-, methyl ester\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3\n',
'inchi_key': 'QZUDBNBUXVUHMW-UHFFFAOYSA-N',
'name': '8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine\n5H-Dibenzo[b,e][1,4]diazepine, 8-chloro-11-(4-methyl-1-piperazinyl)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,22H,5H2,1-4H3/b18-15+\n',
'inchi_key': 'OYFHPBSUARUOQE-OBGWFSINSA-N',
'name': 'Methyl (5Z)-5-[ethoxy(hydroxy)methylene]-2,6-dimethyl-4-(3-nitrophenyl)-4,5-dihydro-3-pyridinecarboxylate\n3-Pyridinecarboxylic acid, 5-(ethoxyhydroxymethylene)-4,5-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl ester, (5Z)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C19H14O7/c1-8-6-10(19(24)25)14(12(7-8)26-2)15-16(21)9-4-3-5-11(20)13(9)17(22)18(15)23/h3-7,20,23H,1-2H3,(H,24,25)\n',
'inchi_key': 'PBKZJIMGHNPKBJ-UHFFFAOYSA-N',
'name': 'Benzoic acid, 2-(1,4-dihydro-3,5-dihydroxy-1,4-dioxo-2-naphthalenyl)-3-methoxy-5-methyl-\n2-(3,5-Dihydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-3-methoxy-5-methylbenzoic acid\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,22H,11H2,1H3\n',
'inchi_key': 'QTXVAVXCBMYBJW-UHFFFAOYSA-N',
'name': '2-Hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one\n4H-1-Benzopyran-4-one, 2-hydroxy-3-(3-oxo-1-phenylbutyl)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C19H20N2O3/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17/h1-4,9,11-14,20H,5-8,10H2/t11-,12+,13-,14-\n',
'inchi_key': 'UKTAZPQNNNJVKR-YXSUXZIUSA-N',
'name': '(1r,3R,5r,7S)-10-Oxo-8-azatricyclo[5.3.1.0~3,8~]undec-5-yl 1H-indole-3-carboxylate\n1H-Indole-3-carboxylic acid, (6R,9aS)-octahydro-3-oxo-2,6-methano-2H-quinolizin-8-yl ester\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C19H21N3O5/c1-9(2)26-19(24)15-11(4)20-10(3)14(18(23)25-5)16(15)12-7-6-8-13-17(12)22-27-21-13/h6-9,16,23H,1-5H3/b18-14+\n',
'inchi_key': 'MSKAFRMBWXTPHY-NBVRZTHBSA-N',
'name': 'Isopropyl (5Z)-4-(2,1,3-benzoxadiazol-4-yl)-5-[hydroxy(methoxy)methylene]-2,6-dimethyl-4,5-dihydro-3-pyridinecarboxylate\n3-Pyridinecarboxylic acid, 4-(2,1,3-benzoxadiazol-4-yl)-4,5-dihydro-5-(hydroxymethoxymethylene)-2,6-dimethyl-, 1-methylethyl ester, (5Z)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C19H27NO3/c1-13(2)15-8-10-16(11-9-15)18(21)20-17(19(22)23)12-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,20,21)(H,22,23)/t15-,16-,17-/m1/s1\n',
'inchi_key': 'OELFLUMRDSZNSF-BRWVUGGUSA-N',
'name': 'N-[(trans-4-Isopropylcyclohexyl)carbonyl]-D-phenylalanine\nD-Phenylalanine, N-[[trans-4-(1-methylethyl)cyclohexyl]carbonyl]-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C19H29NO3/c1-3-4-5-9-12-15-16(21)20-19(17(22)23-18(15,19)2)13-14-10-7-6-8-11-14/h7,10,14-15H,3-6,8-9,11-13H2,1-2H3,(H,20,21)\n',
'inchi_key': 'HRIJMKFCVROBTA-UHFFFAOYSA-N',
'name': '(1R,4R,5S)-1-[(1R)-2-Cyclohexen-1-ylmethyl]-4-hexyl-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione\n6-Oxa-2-azabicyclo[3.2.0]heptane-3,7-dione, 1-[(1R)-2-cyclohexen-1-ylmethyl]-4-hexyl-5-methyl-, (1R,4R,5S)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C19H40NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(22)27-18(16-21)17-26-28(23,24)25-15-14-20/h18,21H,2-17,20H2,1H3,(H,23,24)\n',
'inchi_key': 'DDUZNLUWXLYPCP-UHFFFAOYSA-N',
'name': '(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl myristate\nTetradecanoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-(hydroxymethyl)ethyl ester\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C20H11N3O4/c24-7-1-2-9-12(4-7)22-19-15(9)16-11(6-21-20(16)27)14-10-3-8(25)5-13(26)17(10)23-18(14)19/h3-4,6,22,27H,1-2,5H2\n',
'inchi_key': 'ZQKDDOSHDQJUAO-UHFFFAOYSA-N',
'name': '7-Hydroxy-8,12-dihydro-1H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-1,3,10(2H,9H)-trione\n1H-Indolo[2,3-a]pyrrolo[3,4-c]carbazole-1,3,10(2H,9H)-trione, 8,12-dihydro-7-hydroxy-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)\n',
'inchi_key': 'QHKYPYXTTXKZST-UHFFFAOYSA-N',
'name': '4-[4-(4-Fluorophenyl)-5-(4-pyridinyl)-1H-imidazol-2-yl]phenol\nPhenol, 4-[5-(4-fluorophenyl)-4-(4-pyridinyl)-1H-imidazol-2-yl]-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C20H16N2O5/c1-2-20(26)13-7-15-17-10(6-11-14(21-17)4-3-5-16(11)23)8-22(15)18(24)12(13)9-27-19(20)25/h3-7,23,26H,2,8-9H2,1H3/t20-/m0/s1\n',
'inchi_key': 'LCZZWLIDINBPRC-FQEVSTJZSA-N',
'name': "1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4,10-dihydroxy-, (4S)-\n(4S)-4-Ethyl-4,10-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C20H20N2O3/c1-9(23)14-18(24)17-16-11-8-21-13-6-4-5-10(15(11)13)7-12(16)20(2,3)22(17)19(14)25/h4-6,8,12,16-17,21,23H,7H2,1-3H3/b14-9-/t12-,16+,17+/m1/s1\n',
'inchi_key': 'CNZIQHGDUXRUJS-PTNHGACKSA-N',
'name': "(6aR,10Z,11aS,11bR)-10-(1-Hydroxyethylidene)-7,7-dimethyl-6a,7,11a,11b-tetrahydro-6H-pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indole-9,11(2H,10H)-dione\n6H-Pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indole-9,11(2H,10H)-dione, 6a,7,11a,11b-tetrahydro-10-(1-hydroxyethylidene)-7,7-dimethyl-, (6aR,10Z,11aS,11bR)-\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C20H23NO6/c1-12-8-19(23)27-17-9-15(6-7-16(12)17)26-11-18(22)21-10-13-2-4-14(5-3-13)20(24)25/h6-9,13-14H,2-5,10-11H2,1H3,(H,21,22)(H,24,25)/t13-,14-\n',
'inchi_key': 'YLCKQNHDIIGLSU-HDJSIYSDSA-N',
'name': 'trans-4-[({[(4-Methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl]amino]methyl]-, trans-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C20H23NO6/c1-12(19(23)21-11-13-2-4-15(5-3-13)20(24)25)26-16-8-6-14-7-9-18(22)27-17(14)10-16/h6-10,12-13,15H,2-5,11H2,1H3,(H,21,23)(H,24,25)/t12?,13-,15-\n',
'inchi_key': 'SCMRAVQXCAHESR-ITGFMWSFSA-N',
'name': 'trans-4-[({2-[(2-Oxo-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[1-oxo-2-[(2-oxo-2H-1-benzopyran-7-yl)oxy]propyl]amino]methyl]-, trans-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,25H,4,9-11,22H2,1-3H3/b20-18+\n',
'inchi_key': 'VNTNQZVUQJROCO-CZIZESTLSA-N',
'name': '3-Pyridinecarboxylic acid, 6-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-5-(ethoxyhydroxymethylene)-4,5-dihydro-2-methyl-, methyl ester, (5Z)-\nMethyl (5Z)-6-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-5-[ethoxy(hydroxy)methylene]-2-methyl-4,5-dihydro-3-pyridinecarboxylate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C20H26N2O4S2/c1-12(2)19-22-15(11-28-19)20-21-14(10-27-20)7-8-16(24-4)13(3)17(25-5)9-18(23)26-6/h7-13,16H,1-6H3\n',
'inchi_key': 'LRTJMINIVSPVMX-UHFFFAOYSA-N',
'name': "Methyl (2E,4R,5S,6E)-7-(2'-isopropyl-2,4'-bi-1,3-thiazol-4-yl)-3,5-dimethoxy-4-methyl-2,6-heptadienoate\n2,6-Heptadienoic acid, 3,5-dimethoxy-4-methyl-7-[2'-(1-methylethyl)[2,4'-bithiazol]-4-yl]-, methyl ester, (2E,4R,5S,6E)-\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C20H29N3O4S/c1-28-9-8-16(21)20(25)22-11-13-2-4-14(5-3-13)19(24)23-15-6-7-17-18(10-15)27-12-26-17/h6-7,10,13-14,16H,2-5,8-9,11-12,21H2,1H3,(H,22,25)(H,23,24)/t13-,14-,16-/m0/s1\n',
'inchi_key': 'WNZLJUQGEOKOJG-DZKIICNBSA-N',
'name': 'trans-N-(1,3-Benzodioxol-5-yl)-4-[(L-methionylamino)methyl]cyclohexanecarboxamide\nCyclohexanecarboxamide, 4-[[[(2S)-2-amino-4-(methylthio)-1-oxobutyl]amino]methyl]-N-1,3-benzodioxol-5-yl-, trans-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C21H15N3O4/c25-17-7-3-1-5-15(17)19-22-20(16-6-2-4-8-18(16)26)24(23-19)14-11-9-13(10-12-14)21(27)28/h1-12,25-26H,(H,27,28)\n',
'inchi_key': 'BOFQWVMAQOTZIW-UHFFFAOYSA-N',
'name': '4-[3,5-Bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]benzoic acid\nBenzoic acid, 4-[3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/t16-,17-,18+,19-,21-/m1/s1\n',
'inchi_key': 'ABVCUBUIXWJYSE-GQUPQBGVSA-N',
'name': '5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-chromeniumyl beta-D-glucopyranoside\nbeta-D-Glucopyranoside, 5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium-3-yl\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C21H20O10/c22-8-17-18(26)19(27)20(28)21(31-17)30-16-7-10(23)6-15-11(16)2-4-14(29-15)9-1-3-12(24)13(25)5-9/h1-7,17-22,26-28H,8H2,(H2-,23,24,25)/t17-,18-,19+,20-,21-/m1/s1\n',
'inchi_key': 'RXQNESSHTIRLBK-YMQHIKHWSA-N',
'name': '2-(3,4-Dihydroxyphenyl)-7-hydroxy-5-chromeniumyl beta-D-glucopyranoside\nbeta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzopyrylium-5-yl\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C21H20O11/c22-7-15-18(27)19(28)20(29)21(32-15)30-9-5-12(25)16-13(6-9)31-14(17(16)26)4-8-1-2-10(23)11(24)3-8/h1-6,15,18-25,27-29H,7H2\n',
'inchi_key': 'AMJCTDBATIKENQ-UHFFFAOYSA-N',
'name': '3(2H)-Benzofuranone, 2-[(3,4-dihydroxyphenyl)methylene]-6-(beta-D-glucopyranosyloxy)-4-hydroxy-, (2Z)-\n(2Z)-2-(3,4-Dihydroxybenzylidene)-4-hydroxy-3-oxo-2,3-dihydro-1-benzofuran-6-yl beta-D-glucopyranoside\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/t16-,17-,18+,19-,21-/m1/s1\n',
'inchi_key': 'RKWHWFONKJEUEF-GQUPQBGVSA-N',
'name': 'beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl, inner salt\n2-(3,4-Dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-7-hydroxy-5-chromeniumolate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/t16-,17+,18+,19-,21-/m1/s1\n',
'inchi_key': 'RKWHWFONKJEUEF-WVXKDWSHSA-N',
'name': 'beta-D-Galactopyranoside, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl, inner salt\n2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-7-hydroxy-5-chromeniumolate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C21H20O12/c22-6-12(27)19-16(29)17(30)21(32-19)33-20-15(28)14-11(26)4-8(23)5-13(14)31-18(20)7-1-2-9(24)10(25)3-7/h1-5,12,16-17,19,21-27,29-30H,6H2\n',
'inchi_key': 'OPJZLUXFQFQYAI-UHFFFAOYSA-N',
'name': '2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl beta-D-glucofuranoside\n4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C21H20O12/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27)/t15-,17-,18+,19-,21-/m1/s1\n',
'inchi_key': 'XENHPQQLDPAYIJ-PEVLUNPASA-N',
'name': '5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-chromeniumyl beta-D-glucopyranoside\nbeta-D-Glucopyranoside, 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium-3-yl\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C21H20O9/c22-9-17-18(25)19(26)20(27)21(30-17)29-16-8-12(24)7-15-13(16)5-6-14(28-15)10-1-3-11(23)4-2-10/h1-8,17-22,25-27H,9H2,(H-,23,24)/t17-,18-,19+,20-,21-/m1/s1\n',
'inchi_key': 'SRKBASTXQAAMHZ-YMQHIKHWSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C21H24ClNO6/c1-11-7-19(24)29-17-9-18(16(22)8-15(11)17)28-12(2)20(25)23-10-13-3-5-14(6-4-13)21(26)27/h7-9,12-14H,3-6,10H2,1-2H3,(H,23,25)(H,26,27)/t12?,13-,14-\n',
'inchi_key': 'BFYMPCVNAMZPLB-KAOCOCSGSA-N',
'name': 'trans-4-[({2-[(6-Chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C21H25NO6/c1-12-7-16(20-13(2)9-19(24)28-17(20)8-12)27-11-18(23)22-10-14-3-5-15(6-4-14)21(25)26/h7-9,14-15H,3-6,10-11H2,1-2H3,(H,22,23)(H,25,26)/t14-,15-\n',
'inchi_key': 'WKVKJOYONAXNFU-SHTZXODSSA-N',
'name': 'Cyclohexanecarboxylic acid, 4-[[[2-[(4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]acetyl]amino]methyl]-, trans-\ntrans-4-[({[(4,7-Dimethyl-2-oxo-2H-chromen-5-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C21H25NO6/c1-12-9-19(23)28-18-10-16(7-8-17(12)18)27-13(2)20(24)22-11-14-3-5-15(6-4-14)21(25)26/h7-10,13-15H,3-6,11H2,1-2H3,(H,22,24)(H,25,26)/t13?,14-,15-\n',
'inchi_key': 'GCWSGQPKIODBTC-NJIVVBIYSA-N',
'name': 'trans-4-[({2-[(4-Methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C21H25NO6/c1-12-9-19(24)28-20-13(2)17(8-7-16(12)20)27-11-18(23)22-10-14-3-5-15(6-4-14)21(25)26/h7-9,14-15H,3-6,10-11H2,1-2H3,(H,22,23)(H,25,26)/t14-,15-\n',
'inchi_key': 'IYECSNOPLWSURQ-SHTZXODSSA-N',
'name': 'Cyclohexanecarboxylic acid, 4-[[[2-[(4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl]amino]methyl]-, trans-\ntrans-4-[({[(4,8-Dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C21H25NO6/c1-2-14-9-20(24)28-18-10-16(7-8-17(14)18)27-12-19(23)22-11-13-3-5-15(6-4-13)21(25)26/h7-10,13,15H,2-6,11-12H2,1H3,(H,22,23)(H,25,26)/t13-,15-\n',
'inchi_key': 'VAINHEDGSJOOKU-CTYIDZIISA-N',
'name': 'trans-4-[({[(4-Ethyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(4-ethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl]amino]methyl]-, trans-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,24H,9-10H2,1-5H3/b20-17+\n',
'inchi_key': 'FXLASALIDJKUIQ-LVZFUZTISA-N',
'name': 'Isopropyl (5Z)-5-[hydroxy(2-methoxyethoxy)methylene]-2,6-dimethyl-4-(3-nitrophenyl)-4,5-dihydro-3-pyridinecarboxylate\n3-Pyridinecarboxylic acid, 4,5-dihydro-5-[hydroxy(2-methoxyethoxy)methylene]-2,6-dimethyl-4-(3-nitrophenyl)-, 1-methylethyl ester, (5Z)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C21H29NO3/c1-12-6-5-7-17-20(12,3)9-8-13(2)21(17,4)11-14-18(24)15(22)10-16(23)19(14)25/h10,13,17,25H,1,5-9,11,22H2,2-4H3/t13-,17+,20+,21+/m0/s1\n',
'inchi_key': 'LTNUWWZNTOSEML-NUATZEMDSA-N',
'name': '2,5-Cyclohexadiene-1,4-dione, 5-amino-3-[[(1R,2S,4aS,8aS)-decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl]methyl]-2-hydroxy-\n5-Amino-2-hydroxy-3-{[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylenedecahydro-1-naphthalenyl]methyl}-1,4-benzoquinone\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C21H30O5/c1-12(2)7-8-15-18(23)17(16(22)11-14(5)6)20(25)21(26,19(15)24)10-9-13(3)4/h7,9,14,24-26H,8,10-11H2,1-6H3/t21-/m1/s1\n',
'inchi_key': 'RMFGNMMNUZWCRZ-OAQYLSRUSA-N',
'name': '2,5-Cyclohexadien-1-one, 3,4,5-trihydroxy-2,4-bis(3-methyl-2-buten-1-yl)-6-(3-methyl-1-oxobutyl)-, (4R)-\n(4R)-3,4,5-Trihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methyl-2-buten-1-yl)-2,5-cyclohexadien-1-one\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C22H17N5O8/c1-32-8-4-9-12(16-11(8)6-2-3-7(28)10(6)20(31)34-16)13-15(29)19(35-21(13)33-9)27-5-24-17-14(27)18(30)26-22(23)25-17/h4-5,13,15,19,21,29H,2-3H2,1H3,(H3,23,25,26,30)\n',
'inchi_key': 'XIOUDSNTNJNQQG-UHFFFAOYSA-N',
'name': "Cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione, 8-(2-amino-3,6-dihydro-6-oxo-7H-purin-7-yl)-2,3,6a,8,9,9a-hexahydro-9-hydroxy-4-methoxy-\n8-(2-Amino-6-oxo-3,6-dihydro-7H-purin-7-yl)-9-hydroxy-4-methoxy-2,3,6a,8,9,9a-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C22H18N4O5/c1-12-18(27)25-16-9-5-3-7-14(16)22(21(25)26(12)30)10-17(20(29)31-22)24-11-23-15-8-4-2-6-13(15)19(24)28/h2-9,11-12,17,21,30H,10H2,1H3\n',
'inchi_key': 'LSEZQEFBFFRCNW-UHFFFAOYSA-N',
'name': "Spiro[furan-2(5H),9'-[9H]imidazo[1,2-a]indole]-3',5(2'H)-dione, 1',3,4,9'a-tetrahydro-1'-hydroxy-2'-methyl-4-(4-oxo-3(4H)-quinazolinyl)-\n1'-Hydroxy-2'-methyl-4-(4-oxo-3(4H)-quinazolinyl)-1',9a'-dihydro-3H-spiro[furan-2,9'-imidazo[1,2-a]indole]-3',5(2'H,4H)-dione\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,26H,5-8H2/t13-,15-\n',
'inchi_key': 'KUCQYCKVKVOKAY-CTYIDZIISA-N',
'name': '1,4-Naphthalenedione, 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-\n2-[trans-4-(4-Chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthoquinone\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25,28-30,32-33H,1-3H3,(H2,23,31)\n',
'inchi_key': 'KTUXFHGUHYRDNF-UHFFFAOYSA-N',
'name': '4-(Dimethylamino)-1,5,6,10,12,12a-hexahydroxy-6-methyl-3,11-dioxo-3,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide\n2-Naphthacenecarboxamide, 4-(dimethylamino)-3,4,4a,5,5a,6,11,12a-octahydro-1,5,6,10,12,12a-hexahydroxy-6-methyl-3,11-dioxo-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C22H26ClNO6/c1-3-14-8-20(25)30-18-10-19(17(23)9-16(14)18)29-12(2)21(26)24-11-13-4-6-15(7-5-13)22(27)28/h8-10,12-13,15H,3-7,11H2,1-2H3,(H,24,26)(H,27,28)/t12?,13-,15-\n',
'inchi_key': 'PRJMUHABANULGT-ITGFMWSFSA-N',
'name': 'trans-4-[({2-[(6-Chloro-4-ethyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(6-chloro-4-ethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C22H27N3O7S/c1-13-6-7-18-21(29)23-8-4-2-3-5-14(26)9-15(27)10-19-24-16(11-31-19)20(28)25-17(12-33-18)22(30)32-13/h2-5,7,11,13-15,17,26-27H,6,8-10,12H2,1H3,(H,23,29)(H,25,28)\n',
'inchi_key': 'UXWOXTQWVMFRSE-UHFFFAOYSA-N',
'name': '(1S,9S,11S,19Z,22R)-9,11-Dihydroxy-22-methyl-6,23-dioxa-26-thia-2,17,27-triazatricyclo[17.5.2.1~4,7~]heptacosa-4,7(27),12,14,19-pentaene-3,18,24-trione\n6,23-Dioxa-26-thia-2,17,27-triazatricyclo[17.5.2.1~4,7~]heptacosa-4,7(27),12,14,19-pentaene-3,18,24-trione, 9,11-dihydroxy-22-methyl-, (1S,9S,11S,19Z,22R)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C22H27NO6/c1-12-8-17(20-13(2)10-19(24)29-18(20)9-12)28-14(3)21(25)23-11-15-4-6-16(7-5-15)22(26)27/h8-10,14-16H,4-7,11H2,1-3H3,(H,23,25)(H,26,27)/t14?,15-,16-\n',
'inchi_key': 'XWURMJXPBINAQM-KURUOMIPSA-N',
'name': 'trans-4-[({2-[(4,7-Dimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C22H27NO6/c1-12-8-17(20-13(2)14(3)22(27)29-18(20)9-12)28-11-19(24)23-10-15-4-6-16(7-5-15)21(25)26/h8-9,15-16H,4-7,10-11H2,1-3H3,(H,23,24)(H,25,26)/t15-,16-\n',
'inchi_key': 'XSZBMKCCHHTLGD-WKILWMFISA-N',
'name': 'trans-4-[({[(3,4,7-Trimethyl-2-oxo-2H-chromen-5-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]acetyl]amino]methyl]-, trans-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C22H27NO6/c1-2-3-16-10-21(25)29-19-11-17(8-9-18(16)19)28-13-20(24)23-12-14-4-6-15(7-5-14)22(26)27/h8-11,14-15H,2-7,12-13H2,1H3,(H,23,24)(H,26,27)/t14-,15-\n',
'inchi_key': 'HVHOUBUTSQGNJT-SHTZXODSSA-N',
'name': 'trans-4-[({[(2-Oxo-4-propyl-2H-chromen-7-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(2-oxo-4-propyl-2H-1-benzopyran-7-yl)oxy]acetyl]amino]methyl]-, trans-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C22H27NO6/c1-3-15-10-20(25)29-21-13(2)18(9-8-17(15)21)28-12-19(24)23-11-14-4-6-16(7-5-14)22(26)27/h8-10,14,16H,3-7,11-12H2,1-2H3,(H,23,24)(H,26,27)/t14-,16-\n',
'inchi_key': 'UVQROKPDAKXSPK-KOMQPUFPSA-N',
'name': 'trans-4-[({[(4-Ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(4-ethyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl]amino]methyl]-, trans-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C22H29NO5/c1-6-14(2)12-16(4)13-15(3)8-7-9-17(5)18(25)22-19(28-22)21(27,10-11-24)23-20(22)26/h6-9,12-13,19,24,27H,10-11H2,1-5H3,(H,23,26)\n',
'inchi_key': 'RCJADKVBRBVIEX-UHFFFAOYSA-N',
'name': '(1R,4S,5R)-4-Hydroxy-4-(2-hydroxyethyl)-1-[(2E,4E,6E,8E,10Z)-2,6,8,10-tetramethyl-2,4,6,8,10-dodecapentaenoyl]-6-oxa-3-azabicyclo[3.1.0]hexan-2-one\n6-Oxa-3-azabicyclo[3.1.0]hexan-2-one, 4-hydroxy-4-(2-hydroxyethyl)-1-[(2E,4E,6E,8E,10Z)-2,6,8,10-tetramethyl-1-oxo-2,4,6,8,10-dodecapentaen-1-yl]-, (1R,4S,5R)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C22H31NO3/c1-16(15-21(23)24)11-12-17(2)22(26-5)18(3)20(25-4)14-13-19-9-7-6-8-10-19/h6-15,17-18,20,22H,1-5H3,(H2,23,24)\n',
'inchi_key': 'JCMQQWWEDGWMJB-UHFFFAOYSA-N',
'name': '2,4,10-Undecatrienamide, 7,9-dimethoxy-3,6,8-trimethyl-11-phenyl-, (2E,4E,6S,7S,8R,9S,10E)-\n(2E,4E,6S,7S,8R,9S,10E)-7,9-Dimethoxy-3,6,8-trimethyl-11-phenyl-2,4,10-undecatrienamide\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C23H20BrN3O2/c24-15-6-3-5-14(11-15)21-22-18(17-8-1-2-9-19(17)26-22)12-20(27-21)23(28)25-13-16-7-4-10-29-16/h1-3,5-6,8-9,11-12,16,27H,4,7,10,13H2,(H,25,28)\n',
'inchi_key': 'ZWQHZYLQZNZIFJ-UHFFFAOYSA-N',
'name': '2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(3-bromophenyl)-N-[(tetrahydro-2-furanyl)methyl]-\n1-(3-Bromophenyl)-N-(tetrahydro-2-furanylmethyl)-2H-beta-carboline-3-carboxamide\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C23H20ClN3O2/c24-15-6-3-5-14(11-15)21-22-18(17-8-1-2-9-19(17)26-22)12-20(27-21)23(28)25-13-16-7-4-10-29-16/h1-3,5-6,8-9,11-12,16,27H,4,7,10,13H2,(H,25,28)\n',
'inchi_key': 'MOBVHKOGJXZESP-UHFFFAOYSA-N',
'name': '2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(3-chlorophenyl)-N-[(tetrahydro-2-furanyl)methyl]-\n1-(3-Chlorophenyl)-N-(tetrahydro-2-furanylmethyl)-2H-beta-carboline-3-carboxamide\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C23H20FN3O2/c24-15-9-7-14(8-10-15)21-22-18(17-5-1-2-6-19(17)26-22)12-20(27-21)23(28)25-13-16-4-3-11-29-16/h1-2,5-10,12,16,27H,3-4,11,13H2,(H,25,28)\n',
'inchi_key': 'UTRZMYUYKQTKPQ-UHFFFAOYSA-N',
'name': '2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(4-fluorophenyl)-N-[(tetrahydro-2-furanyl)methyl]-\n1-(4-Fluorophenyl)-N-(tetrahydro-2-furanylmethyl)-2H-beta-carboline-3-carboxamide\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C23H23NO6/c25-21(24-12-14-5-7-15(8-6-14)22(26)27)13-29-16-9-10-18-17-3-1-2-4-19(17)23(28)30-20(18)11-16/h1-4,9-11,14-15H,5-8,12-13H2,(H,24,25)(H,26,27)/t14-,15-\n',
'inchi_key': 'XHVFBECDJUGMAD-SHTZXODSSA-N',
'name': 'trans-4-[({[(6-Oxo-6H-benzo[c]chromen-3-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(6-oxo-6H-dibenzo[b,d]pyran-3-yl)oxy]acetyl]amino]methyl]-, trans-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/t17-,19-,20+,21-,23-/m1/s1\n',
'inchi_key': 'PXUQTDZNOHRWLI-OXUVVOBNSA-N',
'name': 'beta-D-Glucopyranoside, 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyrylium-3-yl\n5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-chromeniumyl beta-D-glucopyranoside\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C23H27NO6/c1-13-19(10-9-17-16-3-2-4-18(16)23(28)30-21(13)17)29-12-20(25)24-11-14-5-7-15(8-6-14)22(26)27/h9-10,14-15H,2-8,11-12H2,1H3,(H,24,25)(H,26,27)/t14-,15-\n',
'inchi_key': 'QNTBHYIWBSPSMN-SHTZXODSSA-N',
'name': 'trans-4-[({[(6-Methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(1,2,3,4-tetrahydro-6-methyl-4-oxobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetyl]amino]methyl]-, trans-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C23H27NO6/c1-13-9-18(21-16-3-2-4-17(16)23(28)30-19(21)10-13)29-12-20(25)24-11-14-5-7-15(8-6-14)22(26)27/h9-10,14-15H,2-8,11-12H2,1H3,(H,24,25)(H,26,27)/t14-,15-\n',
'inchi_key': 'VWGGZKLSAOKBTB-SHTZXODSSA-N',
'name': 'trans-4-[({[(7-Methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(1,2,3,4-tetrahydro-7-methyl-4-oxobenzo[b]cyclopenta[d]pyran-9-yl)oxy]acetyl]amino]methyl]-, trans-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C23H28ClNO6/c1-3-4-16-9-21(26)31-19-11-20(18(24)10-17(16)19)30-13(2)22(27)25-12-14-5-7-15(8-6-14)23(28)29/h9-11,13-15H,3-8,12H2,1-2H3,(H,25,27)(H,28,29)/t13?,14-,15-\n',
'inchi_key': 'BXLNVDYRMWRFQD-NJIVVBIYSA-N',
'name': 'trans-4-[({2-[(6-Chloro-2-oxo-4-propyl-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(6-chloro-2-oxo-4-propyl-2H-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C23H29NO12/c1-8(22(32)24-13-14(27)16(29)21-20(15(13)28)33-7-34-21)5-10-3-4-12(11(26)6-10)35-23-18(31)17(30)19(36-23)9(2)25/h3-6,13-21,23,26-31H,7H2,1-2H3,(H,24,32)\n',
'inchi_key': 'YQYJSBFKSSDGFO-UHFFFAOYSA-N',
'name': '2-Propenamide, 3-[4-[(6-deoxy-beta-D-arabino-hexofuranosyl-5-ulose)oxy]-3-hydroxyphenyl]-N-[(3aS,4R,5R,6S,7R,7aR)-hexahydro-4,6,7-trihydroxy-1,3-benzodioxol-5-yl]-2-methyl-, (2E)-\n(2E)-3-{4-[(6-Deoxy-beta-D-arabino-hexofuranosyl-5-ulose)oxy]-3-hydroxyphenyl}-2-methyl-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxyhexahydro-1,3-benzodioxol-5-yl]acrylamide\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C23H29NO6/c1-12-9-18(20-13(2)14(3)23(28)30-19(20)10-12)29-15(4)21(25)24-11-16-5-7-17(8-6-16)22(26)27/h9-10,15-17H,5-8,11H2,1-4H3,(H,24,25)(H,26,27)/t15?,16-,17-\n',
'inchi_key': 'QPVOVGVGTKDJHA-ATBAIXNZSA-N',
'name': 'trans-4-[({2-[(3,4,7-Trimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[1-oxo-2-[(3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]propyl]amino]methyl]-, trans-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C23H29NO6/c1-2-3-4-17-11-22(26)30-20-12-18(9-10-19(17)20)29-14-21(25)24-13-15-5-7-16(8-6-15)23(27)28/h9-12,15-16H,2-8,13-14H2,1H3,(H,24,25)(H,27,28)/t15-,16-\n',
'inchi_key': 'AACYBGHKLHTHHO-WKILWMFISA-N',
'name': 'trans-4-[({[(4-Butyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(4-butyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl]amino]methyl]-, trans-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C23H29NO6/c1-3-4-17-11-21(25)30-20-12-18(9-10-19(17)20)29-14(2)22(26)24-13-15-5-7-16(8-6-15)23(27)28/h9-12,14-16H,3-8,13H2,1-2H3,(H,24,26)(H,27,28)/t14?,15-,16-\n',
'inchi_key': 'CKVHTTDFJBGBCN-KURUOMIPSA-N',
'name': 'trans-4-[({2-[(2-Oxo-4-propyl-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[1-oxo-2-[(2-oxo-4-propyl-2H-1-benzopyran-7-yl)oxy]propyl]amino]methyl]-, trans-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C23H29NO6/c1-4-16-11-20(25)30-19-10-13(2)9-18(21(16)19)29-14(3)22(26)24-12-15-5-7-17(8-6-15)23(27)28/h9-11,14-15,17H,4-8,12H2,1-3H3,(H,24,26)(H,27,28)/t14?,15-,17-\n',
'inchi_key': 'HOGNSHPIFOIKIO-XFBNRCLWSA-N',
'name': 'trans-4-[({2-[(4-Ethyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(4-ethyl-7-methyl-2-oxo-2H-1-benzopyran-5-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C23H29NO6/c1-4-16-11-20(25)30-21-13(2)19(10-9-18(16)21)29-14(3)22(26)24-12-15-5-7-17(8-6-15)23(27)28/h9-11,14-15,17H,4-8,12H2,1-3H3,(H,24,26)(H,27,28)/t14?,15-,17-\n',
'inchi_key': 'VRZNREAVGVERFB-XFBNRCLWSA-N',
'name': 'trans-4-[({2-[(4-Ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(4-ethyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C24H22N2O3/c1-2-3-22-23(16-4-10-19(27)11-5-16)25-26(18-8-14-21(29)15-9-18)24(22)17-6-12-20(28)13-7-17/h4-15,27-29H,2-3H2,1H3\n',
'inchi_key': 'IOTXSIGGFRQYKW-UHFFFAOYSA-N',
'name': "4,4',4''-(4-Propyl-1H-pyrazole-1,3,5-triyl)triphenol\nPhenol, 4,4',4''-(4-propyl-1H-pyrazole-1,3,5-triyl)tris-\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C24H23N3O2/c1-15-7-2-3-9-17(15)22-23-19(18-10-4-5-11-20(18)26-23)13-21(27-22)24(28)25-14-16-8-6-12-29-16/h2-5,7,9-11,13,16,27H,6,8,12,14H2,1H3,(H,25,28)\n',
'inchi_key': 'WEXUTYRSGLZPOA-UHFFFAOYSA-N',
'name': '1-(2-Methylphenyl)-N-(tetrahydro-2-furanylmethyl)-2H-beta-carboline-3-carboxamide\n2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(2-methylphenyl)-N-[(tetrahydro-2-furanyl)methyl]-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C24H23N3O2/c1-15-8-10-16(11-9-15)22-23-19(18-6-2-3-7-20(18)26-23)13-21(27-22)24(28)25-14-17-5-4-12-29-17/h2-3,6-11,13,17,27H,4-5,12,14H2,1H3,(H,25,28)\n',
'inchi_key': 'NBONCKXCKGSEAW-UHFFFAOYSA-N',
'name': '1-(4-Methylphenyl)-N-(tetrahydro-2-furanylmethyl)-2H-beta-carboline-3-carboxamide\n2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(4-methylphenyl)-N-[(tetrahydro-2-furanyl)methyl]-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C24H23N3O3/c1-29-16-10-8-15(9-11-16)22-23-19(18-6-2-3-7-20(18)26-23)13-21(27-22)24(28)25-14-17-5-4-12-30-17/h2-3,6-11,13,17,27H,4-5,12,14H2,1H3,(H,25,28)\n',
'inchi_key': 'CLWNGCIQDFFMPZ-UHFFFAOYSA-N',
'name': '2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(4-methoxyphenyl)-N-[(tetrahydro-2-furanyl)methyl]-\n1-(4-Methoxyphenyl)-N-(tetrahydro-2-furanylmethyl)-2H-beta-carboline-3-carboxamide\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C24H23N3O3/c1-29-16-7-4-6-15(12-16)22-23-19(18-9-2-3-10-20(18)26-23)13-21(27-22)24(28)25-14-17-8-5-11-30-17/h2-4,6-7,9-10,12-13,17,27H,5,8,11,14H2,1H3,(H,25,28)\n',
'inchi_key': 'KMAREPQCUSHBQE-UHFFFAOYSA-N',
'name': '2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(3-methoxyphenyl)-N-[(tetrahydro-2-furanyl)methyl]-\n1-(3-Methoxyphenyl)-N-(tetrahydro-2-furanylmethyl)-2H-beta-carboline-3-carboxamide\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C24H23N3O3/c1-29-21-11-5-3-9-17(21)22-23-18(16-8-2-4-10-19(16)26-23)13-20(27-22)24(28)25-14-15-7-6-12-30-15/h2-5,8-11,13,15,27H,6-7,12,14H2,1H3,(H,25,28)\n',
'inchi_key': 'SNXUWOKRCVICFV-UHFFFAOYSA-N',
'name': '2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(2-methoxyphenyl)-N-[(tetrahydro-2-furanyl)methyl]-\n1-(2-Methoxyphenyl)-N-(tetrahydro-2-furanylmethyl)-2H-beta-carboline-3-carboxamide\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C24H25NO6/c1-14(22(26)25-13-15-6-8-16(9-7-15)23(27)28)30-17-10-11-19-18-4-2-3-5-20(18)24(29)31-21(19)12-17/h2-5,10-12,14-16H,6-9,13H2,1H3,(H,25,26)(H,27,28)/t14?,15-,16-\n',
'inchi_key': 'DBFROQUVDRUPBV-KURUOMIPSA-N',
'name': 'trans-4-[({2-[(6-Oxo-6H-benzo[c]chromen-3-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[1-oxo-2-[(6-oxo-6H-dibenzo[b,d]pyran-3-yl)oxy]propyl]amino]methyl]-, trans-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C24H30ClNO6/c1-3-4-5-17-10-22(27)32-20-12-21(19(25)11-18(17)20)31-14(2)23(28)26-13-15-6-8-16(9-7-15)24(29)30/h10-12,14-16H,3-9,13H2,1-2H3,(H,26,28)(H,29,30)/t14?,15-,16-\n',
'inchi_key': 'RERZBPOOKQSLED-KURUOMIPSA-N',
'name': 'trans-4-[({2-[(4-Butyl-6-chloro-2-oxo-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C24H31NO6/c1-3-4-5-18-12-22(26)31-21-13-19(10-11-20(18)21)30-15(2)23(27)25-14-16-6-8-17(9-7-16)24(28)29/h10-13,15-17H,3-9,14H2,1-2H3,(H,25,27)(H,28,29)/t15?,16-,17-\n',
'inchi_key': 'YXDXKAPCDRCRNK-ATBAIXNZSA-N',
'name': 'trans-4-[({2-[(4-Butyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(4-butyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C24H31NO6/c1-3-4-5-18-12-22(27)31-20-11-15(2)10-19(23(18)20)30-14-21(26)25-13-16-6-8-17(9-7-16)24(28)29/h10-12,16-17H,3-9,13-14H2,1-2H3,(H,25,26)(H,28,29)/t16-,17-\n',
'inchi_key': 'RCJINVKJESWGOW-QAQDUYKDSA-N',
'name': 'trans-4-[({[(4-Butyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(4-butyl-7-methyl-2-oxo-2H-1-benzopyran-5-yl)oxy]acetyl]amino]methyl]-, trans-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C24H31NO6/c1-3-4-5-18-12-22(27)31-23-15(2)20(11-10-19(18)23)30-14-21(26)25-13-16-6-8-17(9-7-16)24(28)29/h10-12,16-17H,3-9,13-14H2,1-2H3,(H,25,26)(H,28,29)/t16-,17-\n',
'inchi_key': 'KQUTXXWSXHOINZ-QAQDUYKDSA-N',
'name': 'trans-4-[({[(4-Butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl]amino]methyl]-, trans-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C24H31NO6/c1-4-5-18-12-21(26)31-20-11-14(2)10-19(22(18)20)30-15(3)23(27)25-13-16-6-8-17(9-7-16)24(28)29/h10-12,15-17H,4-9,13H2,1-3H3,(H,25,27)(H,28,29)/t15?,16-,17-\n',
'inchi_key': 'AUOQTWUVJWASOW-ATBAIXNZSA-N',
'name': 'trans-4-[({2-[(7-Methyl-2-oxo-4-propyl-2H-chromen-5-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(7-methyl-2-oxo-4-propyl-2H-1-benzopyran-5-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C24H33N3O7/c1-6-7-13-8-15-21(30)26-17-14(22(31)27(15)10-13)9-16(11(2)18(17)28)34-23-20(29)24(4,32)19(25-5)12(3)33-23/h6-7,9-10,12,15,19-21,23,25-26,28-30,32H,8H2,1-5H3\n',
'inchi_key': 'RAGFPHFDFVNLCG-UHFFFAOYSA-N',
'name': '5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one, 7-[[4,6-dideoxy-3-C-methyl-4-(methylamino)-alpha-L-mannopyranosyl]oxy]-1,10,11,11a-tetrahydro-9,11-dihydroxy-8-methyl-2-[(1E)-1-propen-1-yl]-, (11R,11aS)-\n(11R,11aS)-9,11-Dihydroxy-8-methyl-5-oxo-2-[(1E)-1-propen-1-yl]-5,10,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl 4,6-dideoxy-3-C-methyl-4-(methylamino)-alpha-L-mannopyranoside\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-14-13-18-7-11-20(12-8-18)34(32,33)27-23(30)26-19-9-5-16(2)6-10-19/h7-8,11-12,16,19H,4-6,9-10,13-15H2,1-3H3,(H,25,31)(H2,26,27,30)/t16-,19-\n',
'inchi_key': 'WIGIZIANZCJQQY-RUCARUNLSA-N',
'name': '1H-Pyrrole-1-carboxamide, 3-ethyl-2,5-dihydro-4-methyl-N-[2-[4-[[[[(trans-4-methylcyclohexyl)amino]carbonyl]amino]sulfonyl]phenyl]ethyl]-2-oxo-\n3-Ethyl-4-methyl-N-[2-(4-{[(trans-4-methylcyclohexyl)carbamoyl]sulfamoyl}phenyl)ethyl]-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide\n1H-Pyrrole-1-carboximidic acid, 3-ethyl-2,5-dihydro-N-[2-[4-[[[(E)-hydroxy[(trans-4-methylcyclohexyl)imino]methyl]amino]sulfonyl]phenyl]ethyl]-4-methyl-2-oxo-\n3-Ethyl-N-{2-[4-({(E)-hydroxy[(trans-4-methylcyclohexyl)imino]methyl}sulfamoyl)phenyl]ethyl}-4-methyl-2-oxo-2,5-dihydro-1H-pyrrole-1-carboximidic acid\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C24H38N2O7S/c1-4-5-6-10-13-17-20(29)26-24(23(17,3)33,19(28)16-11-8-7-9-12-16)22(32)34-14-18(21(30)31)25-15(2)27/h8,11,16-19,28,33H,4-7,9-10,12-14H2,1-3H3,(H,25,27)(H,26,29)(H,30,31)\n',
'inchi_key': 'LNANRAACAKDGBI-UHFFFAOYSA-N',
'name': 'N-Acetyl-S-({(2R,3S,4R)-2-[(S)-(1S)-2-cyclohexen-1-yl(hydroxy)methyl]-4-hexyl-3-hydroxy-3-methyl-5-oxo-2-pyrrolidinyl}carbonyl)-L-cysteine\nL-Cysteine, N-acetyl-S-[[(2R,3S,4R)-2-[(S)-(1S)-2-cyclohexen-1-ylhydroxymethyl]-4-hexyl-3-hydroxy-3-methyl-5-oxo-2-pyrrolidinyl]carbonyl]-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C25H22N4O4/c1-14-10-11-19(12-15(14)2)29-24(31)22(16(3)28-29)27-26-21-9-5-8-20(23(21)30)17-6-4-7-18(13-17)25(32)33/h4-13,26,30H,1-3H3,(H,32,33)/b27-22+\n',
'inchi_key': 'XDXWLKQMMKQXPV-HPNDGRJYSA-N',
'name': "3'-{(2E)-2-[1-(3,4-Dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazino}-2'-hydroxy-3-biphenylcarboxylic acid\n[1,1'-Biphenyl]-3-carboxylic acid, 3'-[(2E)-2-[1-(3,4-dimethylphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]hydrazinyl]-2'-hydroxy-\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C25H22N4O8/c1-9-14(10-6-8-13(35-2)23(36-3)20(10)30)15(26)19(29-17(9)25(33)34)12-7-5-11-18(28-12)22(32)16(27)24(37-4)21(11)31/h5-8,30H,26-27H2,1-4H3,(H,33,34)\n',
'inchi_key': 'PVYJZLYGTZKPJE-UHFFFAOYSA-N',
'name': '2-Pyridinecarboxylic acid, 5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolinyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-\n5-Amino-6-(7-amino-6-methoxy-5,8-dioxo-5,8-dihydro-2-quinolinyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-2-pyridinecarboxylic acid\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C25H24ClNO6/c26-20-10-19-18(16-4-2-1-3-5-16)11-24(29)33-21(19)12-22(20)32-14-23(28)27-13-15-6-8-17(9-7-15)25(30)31/h1-5,10-12,15,17H,6-9,13-14H2,(H,27,28)(H,30,31)/t15-,17-\n',
'inchi_key': 'HAVINGMAQNEKHR-JCNLHEQBSA-N',
'name': 'Cyclohexanecarboxylic acid, 4-[[[2-[(6-chloro-2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]acetyl]amino]methyl]-, trans-\ntrans-4-[({[(6-Chloro-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C25H25BrN4O2/c26-18-6-3-5-17(15-18)23-24-20(19-7-1-2-8-21(19)28-24)16-22(29-23)25(31)27-9-4-10-30-11-13-32-14-12-30/h1-3,5-8,15-16,29H,4,9-14H2,(H,27,31)\n',
'inchi_key': 'XSMQKIDAEVUBHU-UHFFFAOYSA-N',
'name': '2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(3-bromophenyl)-N-[3-(4-morpholinyl)propyl]-\n1-(3-Bromophenyl)-N-[3-(4-morpholinyl)propyl]-2H-beta-carboline-3-carboxamide\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C25H25N3O4/c1-30-15-9-10-22(31-2)19(12-15)24-23-18(17-7-3-4-8-20(17)27-23)13-21(28-24)25(29)26-14-16-6-5-11-32-16/h3-4,7-10,12-13,16,28H,5-6,11,14H2,1-2H3,(H,26,29)\n',
'inchi_key': 'CXAAMKKGUZWBKP-UHFFFAOYSA-N',
'name': '2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(2,5-dimethoxyphenyl)-N-[(tetrahydro-2-furanyl)methyl]-\n1-(2,5-Dimethoxyphenyl)-N-(tetrahydro-2-furanylmethyl)-2H-beta-carboline-3-carboxamide\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C25H25NO6/c27-23(26-14-16-6-8-18(9-7-16)25(29)30)15-31-19-10-11-20-21(17-4-2-1-3-5-17)13-24(28)32-22(20)12-19/h1-5,10-13,16,18H,6-9,14-15H2,(H,26,27)(H,29,30)/t16-,18-\n',
'inchi_key': 'CSVNPYRZUMFKON-SAABIXHNSA-N',
'name': 'trans-4-[({[(2-Oxo-4-phenyl-2H-chromen-7-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]acetyl]amino]methyl]-, trans-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C25H27NO6/c1-14-21(12-11-19-18-5-3-4-6-20(18)25(30)32-22(14)19)31-15(2)23(27)26-13-16-7-9-17(10-8-16)24(28)29/h3-6,11-12,15-17H,7-10,13H2,1-2H3,(H,26,27)(H,28,29)/t15?,16-,17-\n',
'inchi_key': 'AWLOHOKCXNGHMM-ATBAIXNZSA-N',
'name': 'trans-4-[({2-[(4-Methyl-6-oxo-6H-benzo[c]chromen-3-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(4-methyl-6-oxo-6H-dibenzo[b,d]pyran-3-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C25H31NO7/c1-14-10-21(28)32-23-17-8-9-25(2,3)33-18(17)11-19(22(14)23)31-13-20(27)26-12-15-4-6-16(7-5-15)24(29)30/h10-11,15-16H,4-9,12-13H2,1-3H3,(H,26,27)(H,29,30)/t15-,16-\n',
'inchi_key': 'MYFWYMUMGWMICB-WKILWMFISA-N',
'name': "trans-4-[({[(4,8,8-Trimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-5-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(9,10-dihydro-4,8,8-trimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetyl]amino]methyl]-, trans-\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C25H33NO6/c1-4-5-6-19-13-22(27)32-21-12-15(2)11-20(23(19)21)31-16(3)24(28)26-14-17-7-9-18(10-8-17)25(29)30/h11-13,16-18H,4-10,14H2,1-3H3,(H,26,28)(H,29,30)/t16?,17-,18-\n',
'inchi_key': 'GTDLOAQTYBOVIN-ZNUUHSPMSA-N',
'name': 'trans-4-[({2-[(4-Butyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(4-butyl-7-methyl-2-oxo-2H-1-benzopyran-5-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C25H40N2O7S/c1-5-6-7-11-14-18-21(30)27-25(24(18,3)33,20(29)17-12-9-8-10-13-17)23(32)35-15-19(22(31)34-4)26-16(2)28/h9,12,17-20,29,33H,5-8,10-11,13-15H2,1-4H3,(H,26,28)(H,27,30)\n',
'inchi_key': 'GMTRMEITDRYTSO-UHFFFAOYSA-N',
'name': 'L-Cysteine, N-acetyl-S-[[(2R,3S,4R)-2-[(S)-(1S)-2-cyclohexen-1-ylhydroxymethyl]-4-hexyl-3-hydroxy-3-methyl-5-oxo-2-pyrrolidinyl]carbonyl]-, methyl ester\nMethyl N-acetyl-S-({(2R,3S,4R)-2-[(S)-(1S)-2-cyclohexen-1-yl(hydroxy)methyl]-4-hexyl-3-hydroxy-3-methyl-5-oxo-2-pyrrolidinyl}carbonyl)-L-cysteinate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C25H41NO4/c1-17(2)14-20(5)24(29)21(6)15-18(3)12-13-23(28)11-9-8-10-19(4)25(30)26-22(7)16-27/h8-10,12-15,17,21-24,27-29H,11,16H2,1-7H3,(H,26,30)\n',
'inchi_key': 'GADFOYPOADGIMS-UHFFFAOYSA-N',
'name': '2,4,8,10,14-Heptadecapentaenamide, 7,13-dihydroxy-N-[(1S)-2-hydroxy-1-methylethyl]-2,10,12,14,16-pentamethyl-, (2E,4E,8E,10E,12R,13R,14E)-\n(2E,4E,8E,10E,12R,13R,14E)-7,13-Dihydroxy-N-[(2S)-1-hydroxy-2-propanyl]-2,10,12,14,16-pentamethyl-2,4,8,10,14-heptadecapentaenamide\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C25H42O6/c1-15(14-25(6)24(31-25)18(4)23(29-7)19(5)26)9-8-10-16(2)22-17(3)11-12-20(30-22)13-21(27)28/h8-10,15,17-20,22-24,26H,11-14H2,1-7H3,(H,27,28)\n',
'inchi_key': 'ISZXEMUWHQLLTC-UHFFFAOYSA-N',
'name': '(6R)-5,6-Anhydro-6-{(2S,3E,5E)-6-[(2S,3S,6R)-6-(carboxymethyl)-3-methyltetrahydro-2H-pyran-2-yl]-2-methyl-3,5-heptadien-1-yl}-1,4-dideoxy-4,6-dimethyl-3-O-methyl-L-glucitol\nD-glycero-L-talo-Heptitol, 2,3-anhydro-2-C-[(2S,3E,5E)-6-[(2S,3S,6R)-6-(carboxymethyl)tetrahydro-3-methyl-2H-pyran-2-yl]-2-methyl-3,5-heptadien-1-yl]-1,4,7-trideoxy-4-methyl-5-O-methyl-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C26H21N3O9/c30-6-15-22(34)23(35)24(36)25(38-15)9-3-8-12(4-13(9)32)28-21-17(8)18-11(5-27-26(18)37)16-10-1-7(31)2-14(33)19(10)29-20(16)21/h1,4-5,9,15,22-25,28,30,34-37H,2-3,6H2/t9?,15-,22-,23+,24-,25+/m1/s1\n',
'inchi_key': 'BRFHINXURGEQKJ-FKKAOLSPSA-N',
'name': '(1S)-1,5-Anhydro-1-[(9S)-7-hydroxy-1,3,10-trioxo-2,3,8,9,10,12-hexahydro-1H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-9-yl]-D-glucitol\nD-Glucitol, 1,5-anhydro-1-C-[(9S)-2,3,8,9,10,12-hexahydro-7-hydroxy-1,3,10-trioxo-1H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-9-yl]-, (1S)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C26H26ClNO6/c1-15(25(30)28-14-16-7-9-18(10-8-16)26(31)32)33-23-13-22-20(11-21(23)27)19(12-24(29)34-22)17-5-3-2-4-6-17/h2-6,11-13,15-16,18H,7-10,14H2,1H3,(H,28,30)(H,31,32)/t15?,16-,18-\n',
'inchi_key': 'JVVQEBDBIRUGIE-CPONINCNSA-N',
'name': 'trans-4-[({2-[(6-Chloro-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(6-chloro-2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C26H27N3O5/c1-31-21-11-15(12-22(32-2)25(21)33-3)23-24-18(17-8-4-5-9-19(17)28-24)13-20(29-23)26(30)27-14-16-7-6-10-34-16/h4-5,8-9,11-13,16,29H,6-7,10,14H2,1-3H3,(H,27,30)\n',
'inchi_key': 'UJTKFAJRHSQRMS-UHFFFAOYSA-N',
'name': 'N-(Tetrahydro-2-furanylmethyl)-1-(3,4,5-trimethoxyphenyl)-2H-beta-carboline-3-carboxamide\n2H-Pyrido[3,4-b]indole-3-carboxamide, N-[(tetrahydro-2-furanyl)methyl]-1-(3,4,5-trimethoxyphenyl)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C26H27NO6/c1-16-22(32-15-23(28)27-14-17-7-9-19(10-8-17)26(30)31)12-11-20-21(13-24(29)33-25(16)20)18-5-3-2-4-6-18/h2-6,11-13,17,19H,7-10,14-15H2,1H3,(H,27,28)(H,30,31)/t17-,19-\n',
'inchi_key': 'GSYNRNQTBJWZIV-UAPYVXQJSA-N',
'name': 'trans-4-[({[(8-Methyl-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(8-methyl-2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]acetyl]amino]methyl]-, trans-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C26H27NO6/c1-16(25(29)27-15-17-7-9-19(10-8-17)26(30)31)32-20-11-12-21-22(18-5-3-2-4-6-18)14-24(28)33-23(21)13-20/h2-6,11-14,16-17,19H,7-10,15H2,1H3,(H,27,29)(H,30,31)/t16?,17-,19-\n',
'inchi_key': 'BRIRKFJSVSFJIQ-UTPHLMKXSA-N',
'name': 'trans-4-[({2-[(2-Oxo-4-phenyl-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[1-oxo-2-[(2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]propyl]amino]methyl]-, trans-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C26H27NO7/c1-32-19-8-6-17(7-9-19)22-13-25(29)34-23-12-20(10-11-21(22)23)33-15-24(28)27-14-16-2-4-18(5-3-16)26(30)31/h6-13,16,18H,2-5,14-15H2,1H3,(H,27,28)(H,30,31)/t16-,18-\n',
'inchi_key': 'ZMGPMCNHOUGQGK-SAABIXHNSA-N',
'name': 'trans-4-{[({[4-(4-Methoxyphenyl)-2-oxo-2H-chromen-7-yl]oxy}acetyl)amino]methyl}cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[[4-(4-methoxyphenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy]acetyl]amino]methyl]-, trans-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C26H28N4O2/c1-18-7-9-19(10-8-18)24-25-21(20-5-2-3-6-22(20)28-25)17-23(29-24)26(31)27-11-4-12-30-13-15-32-16-14-30/h2-3,5-10,17,29H,4,11-16H2,1H3,(H,27,31)\n',
'inchi_key': 'QVKXLPAYTRZQOR-UHFFFAOYSA-N',
'name': '2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(4-methylphenyl)-N-[3-(4-morpholinyl)propyl]-\n1-(4-Methylphenyl)-N-[3-(4-morpholinyl)propyl]-2H-beta-carboline-3-carboxamide\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C26H28N4O3/c1-32-19-7-4-6-18(16-19)24-25-21(20-8-2-3-9-22(20)28-25)17-23(29-24)26(31)27-10-5-11-30-12-14-33-15-13-30/h2-4,6-9,16-17,29H,5,10-15H2,1H3,(H,27,31)\n',
'inchi_key': 'KSIIEFJRZNSMGQ-UHFFFAOYSA-N',
'name': '2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(3-methoxyphenyl)-N-[3-(4-morpholinyl)propyl]-\n1-(3-Methoxyphenyl)-N-[3-(4-morpholinyl)propyl]-2H-beta-carboline-3-carboxamide\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31)/t15-,18-,19+,20+,21+,22-,24-,25+,26-/m1/s1\n',
'inchi_key': 'ZPPQIOUITZSYAO-MNOAYJSQSA-N',
'name': '2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl 2-O-beta-D-xylopyranosyl-beta-D-glucopyranoside\nbeta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl 2-O-beta-D-xylopyranosyl-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C26H33NO6/c1-8-31-24(29)21-16(3)27-17(4)22(25(30)32-9-2)23(21)19-13-11-10-12-18(19)14-15-20(28)33-26(5,6)7/h10-15,23,29H,8-9H2,1-7H3/b15-14+,24-21+\n',
'inchi_key': 'HRWNZPORSDJVBT-ANJOCGSNSA-N',
'name': 'Ethyl (5Z)-5-[ethoxy(hydroxy)methylene]-2,6-dimethyl-4-(2-{(1E)-3-[(2-methyl-2-propanyl)oxy]-3-oxo-1-propen-1-yl}phenyl)-4,5-dihydro-3-pyridinecarboxylate\n3-Pyridinecarboxylic acid, 4-[2-[(1E)-3-(1,1-dimethylethoxy)-3-oxo-1-propen-1-yl]phenyl]-5-(ethoxyhydroxymethylene)-4,5-dihydro-2,6-dimethyl-, ethyl ester, (5Z)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C26H39NO3/c1-16(2)11-13-27-20-14-21(28)24(30)19(23(20)29)15-26(6)18(4)10-12-25(5)17(3)8-7-9-22(25)26/h14,16,18,22,27,30H,3,7-13,15H2,1-2,4-6H3/t18-,22+,25+,26+/m0/s1\n',
'inchi_key': 'VNDCVHMWISOLKI-DVBYZVISSA-N',
'name': '2-Hydroxy-5-[(3-methylbutyl)amino]-3-{[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylenedecahydro-1-naphthalenyl]methyl}-1,4-benzoquinone\n2,5-Cyclohexadiene-1,4-dione, 3-[[(1R,2S,4aS,8aS)-decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl]methyl]-2-hydroxy-5-[(3-methylbutyl)amino]-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C27H29N3O4/c1-32-22-13-16(14-23(33-2)26(22)34-3)24-25-19(18-11-7-8-12-20(18)29-25)15-21(30-24)27(31)28-17-9-5-4-6-10-17/h7-8,11-15,17,30H,4-6,9-10H2,1-3H3,(H,28,31)\n',
'inchi_key': 'FXHLHJGGCCHNCE-UHFFFAOYSA-N',
'name': 'N-Cyclohexyl-1-(3,4,5-trimethoxyphenyl)-2H-beta-carboline-3-carboxamide\n2H-Pyrido[3,4-b]indole-3-carboxamide, N-cyclohexyl-1-(3,4,5-trimethoxyphenyl)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C27H29NO6/c1-16-23(33-17(2)26(30)28-15-18-8-10-20(11-9-18)27(31)32)13-12-21-22(14-24(29)34-25(16)21)19-6-4-3-5-7-19/h3-7,12-14,17-18,20H,8-11,15H2,1-2H3,(H,28,30)(H,31,32)/t17?,18-,20-\n',
'inchi_key': 'HVDQBOGXNAWROE-FNNPTEEZSA-N',
'name': 'trans-4-[({2-[(8-Methyl-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(8-methyl-2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C27H29NO6/c1-17-22-12-11-21(14-24(22)34-27(32)23(17)13-18-5-3-2-4-6-18)33-16-25(29)28-15-19-7-9-20(10-8-19)26(30)31/h2-6,11-12,14,19-20H,7-10,13,15-16H2,1H3,(H,28,29)(H,30,31)/t19-,20-\n',
'inchi_key': 'SKUGZRGAYUSNFO-MXVIHJGJSA-N',
'name': 'trans-4-[({[(3-Benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[[4-methyl-2-oxo-3-(phenylmethyl)-2H-1-benzopyran-7-yl]oxy]acetyl]amino]methyl]-, trans-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C27H29NO7/c1-16-23(34-15-24(29)28-14-17-3-5-19(6-4-17)27(31)32)12-11-21-22(13-25(30)35-26(16)21)18-7-9-20(33-2)10-8-18/h7-13,17,19H,3-6,14-15H2,1-2H3,(H,28,29)(H,31,32)/t17-,19-\n',
'inchi_key': 'SYEOCUOTXUJMEV-UAPYVXQJSA-N',
'name': 'trans-4-{[({[4-(4-Methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl]oxy}acetyl)amino]methyl}cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[[4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-1-benzopyran-7-yl]oxy]acetyl]amino]methyl]-, trans-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C27H29NO7/c1-16(26(30)28-15-17-3-5-19(6-4-17)27(31)32)34-21-11-12-22-23(14-25(29)35-24(22)13-21)18-7-9-20(33-2)10-8-18/h7-14,16-17,19H,3-6,15H2,1-2H3,(H,28,30)(H,31,32)/t16?,17-,19-\n',
'inchi_key': 'UVOFNFYZAGDDSB-UTPHLMKXSA-N',
'name': 'trans-4-{[(2-{[4-(4-Methoxyphenyl)-2-oxo-2H-chromen-7-yl]oxy}propanoyl)amino]methyl}cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[[4-(4-methoxyphenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy]-1-oxopropyl]amino]methyl]-, trans-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C27H30N4O4/c1-33-18-8-9-24(34-2)21(16-18)26-25-20(19-6-3-4-7-22(19)29-25)17-23(30-26)27(32)28-10-5-11-31-12-14-35-15-13-31/h3-4,6-9,16-17,30H,5,10-15H2,1-2H3,(H,28,32)\n',
'inchi_key': 'SXUGSBCTMDLZPH-UHFFFAOYSA-N',
'name': '1-(2,5-Dimethoxyphenyl)-N-[3-(4-morpholinyl)propyl]-2H-beta-carboline-3-carboxamide\n2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(2,5-dimethoxyphenyl)-N-[3-(4-morpholinyl)propyl]-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C27H30N4O4/c1-33-23-9-8-18(16-24(23)34-2)25-26-20(19-6-3-4-7-21(19)29-26)17-22(30-25)27(32)28-10-5-11-31-12-14-35-15-13-31/h3-4,6-9,16-17,30H,5,10-15H2,1-2H3,(H,28,32)\n',
'inchi_key': 'VLGYOPHQGQZESI-UHFFFAOYSA-N',
'name': '1-(3,4-Dimethoxyphenyl)-N-[3-(4-morpholinyl)propyl]-2H-beta-carboline-3-carboxamide\n2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(3,4-dimethoxyphenyl)-N-[3-(4-morpholinyl)propyl]-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C27H30O14/c1-10-19(31)21(33)23(35)26(38-10)37-9-18-20(32)22(34)24(36)27(41-18)40-17-8-14-15(30)6-13(29)7-16(14)39-25(17)11-2-4-12(28)5-3-11/h2-8,10,18-24,26-27,31-36H,9H2,1H3,(H2-,28,29,30)/t10-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1\n',
'inchi_key': 'IFYOHQQBIKDHFT-ASZXTAQUSA-N',
'name': 'beta-D-Glucopyranoside, 5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-, inner salt\n3-{[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-7-hydroxy-2-(4-hydroxyphenyl)-5-chromeniumolate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/t9-,18+,19-,20+,21+,22-,23+,24+,26?,27?/m0/s1\n',
'inchi_key': 'USNPULRDBDVJAO-GNVFRXNTSA-N',
'name': '2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside\nbeta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1\n',
'inchi_key': 'USNPULRDBDVJAO-FXCAAIILSA-N',
'name': 'beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-, inner salt\n3-{[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-chromeniumolate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C27H30O15/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31)/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1\n',
'inchi_key': 'SLCKJKWFULXZBD-ZOTFFYTFSA-N',
'name': '3-(beta-D-Glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-5-chromeniumyl beta-D-glucopyranoside\nbeta-D-Glucopyranoside, 3-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium-5-yl\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)39-10-4-13(31)11-6-16(41-27-24(38)22(36)20(34)18(8-29)43-27)25(40-15(11)5-10)9-1-2-12(30)14(32)3-9/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1\n',
'inchi_key': 'ULXBEUBSYSSVTP-ZOTFFYTFSA-N',
'name': '2-(3,4-Dihydroxyphenyl)-3,7-bis(beta-D-glucopyranosyloxy)-5-chromeniumolate\nbeta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5-hydroxy-1-benzopyrylium-7-yl, inner salt\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-16(25(39-14)9-1-2-12(31)13(32)3-9)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1\n',
'inchi_key': 'RDFLLVCQYHQOBU-ZOTFFYTFSA-N',
'name': 'beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-7-hydroxy-1-benzopyrylium-5-yl, inner salt\n2-(3,4-Dihydroxyphenyl)-3,5-bis(beta-D-glucopyranosyloxy)-7-chromeniumolate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C27H30O16/c28-7-17-19(34)21(36)23(38)26(41-17)43-25-22(37)20(35)18(8-29)42-27(25)40-16-6-11-13(32)4-10(30)5-15(11)39-24(16)9-1-2-12(31)14(33)3-9/h1-6,17-23,25-29,34-38H,7-8H2,(H3-,30,31,32,33)/t17-,18-,19-,20-,21+,22+,23-,25-,26+,27?/m1/s1\n',
'inchi_key': 'SXYMMDGPXYVCER-HAHCJQHHSA-N',
'name': 'beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl 2-O-beta-D-glucopyranosyl-\n2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1\n',
'inchi_key': 'XCTGXGVGJYACEI-LCENJUANSA-N',
'name': '3,5-Bis(beta-D-glucopyranosyloxy)-2-(3,4,5-trihydroxyphenyl)-7-chromeniumolate\nbeta-D-Glucopyranoside, 3-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium-5-yl, inner salt\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C27H30O17/c28-6-16-19(35)21(37)23(39)26(42-16)44-25-22(38)20(36)17(7-29)43-27(25)41-15-5-10-11(31)3-9(30)4-14(10)40-24(15)8-1-12(32)18(34)13(33)2-8/h1-5,16-17,19-23,25-29,35-39H,6-7H2,(H4-,30,31,32,33,34)/t16-,17-,19-,20-,21-,22-,23-,25-,26?,27?/m0/s1\n',
'inchi_key': 'UYLDMCQVSGIZMI-KNPUFEMDSA-N',
'name': '5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-chromeniumyl 2-O-beta-D-erythro-hexopyranosyl-beta-D-glycero-hexopyranoside\nbeta-D-glycero-Hexopyranoside, 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium-3-yl 2-O-beta-D-erythro-hexopyranosyl-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C27H35NO7/c1-4-5-18-12-23(30)34-25-19-10-11-27(2,3)35-20(19)13-21(24(18)25)33-15-22(29)28-14-16-6-8-17(9-7-16)26(31)32/h12-13,16-17H,4-11,14-15H2,1-3H3,(H,28,29)(H,31,32)/t16-,17-\n',
'inchi_key': 'UCGGBFYNJMDOGD-QAQDUYKDSA-N',
'name': "trans-4-[({[(8,8-Dimethyl-2-oxo-4-propyl-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-5-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(9,10-dihydro-8,8-dimethyl-2-oxo-4-propyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetyl]amino]methyl]-, trans-\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C27H41NO8/c1-16(8-11-23-25(31)27(15-33-27)14-26(6,32)36-23)7-10-22-17(2)13-21(19(4)35-22)28-24(30)12-9-18(3)34-20(5)29/h7-9,11-12,17-19,21-23,25,31-32H,10,13-15H2,1-6H3,(H,28,30)\n',
'inchi_key': 'PJKVJJDQXZARCA-UHFFFAOYSA-N',
'name': '(2S,3Z)-5-{[(2R,3R,5S,6S)-6-{(2E,4E)-5-[(3R,4R,5R,7S)-4,7-Dihydroxy-7-methyl-1,6-dioxaspiro[2.5]oct-5-yl]-3-methyl-2,4-pentadien-1-yl}-2,5-dimethyltetrahydro-2H-pyran-3-yl]amino}-5-oxo-3-penten-2-yl acetate\n2-Pentenamide, 4-(acetyloxy)-N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4,7-dihydroxy-7-methyl-1,6-dioxaspiro[2.5]oct-5-yl]-3-methyl-2,4-pentadien-1-yl]tetrahydro-2,5-dimethyl-2H-pyran-3-yl]-, (2Z,4S)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C28H30ClNO6/c1-16-21-13-23(29)25(14-24(21)36-28(34)22(16)12-18-6-4-3-5-7-18)35-17(2)26(31)30-15-19-8-10-20(11-9-19)27(32)33/h3-7,13-14,17,19-20H,8-12,15H2,1-2H3,(H,30,31)(H,32,33)/t17?,19-,20-\n',
'inchi_key': 'SAUWKXGLBXTEBC-DASMUKNDSA-N',
'name': 'trans-4-[({2-[(3-Benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[[6-chloro-4-methyl-2-oxo-3-(phenylmethyl)-2H-1-benzopyran-7-yl]oxy]-1-oxopropyl]amino]methyl]-, trans-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C28H31NO6/c1-17-22-12-13-24(34-16-25(30)29-15-20-8-10-21(11-9-20)27(31)32)18(2)26(22)35-28(33)23(17)14-19-6-4-3-5-7-19/h3-7,12-13,20-21H,8-11,14-16H2,1-2H3,(H,29,30)(H,31,32)/t20-,21-\n',
'inchi_key': 'MYGUIHMKFFPJNA-MEMLXQNLSA-N',
'name': 'trans-4-[({[(3-Benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[[4,8-dimethyl-2-oxo-3-(phenylmethyl)-2H-1-benzopyran-7-yl]oxy]acetyl]amino]methyl]-, trans-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C28H32O8/c1-7-9-11-13-16(29)18-20-21(28(6)22(31)15(3)24(33)36-28)19(17(30)14-12-10-8-2)26(4,23(18)32)25(34)27(20,5)35/h7-14,19-21,32-33,35H,1-6H3/b9-7+,10-8+,13-11+,14-12+/t19-,20-,21-,26-,27?,28+/m1/s1\n',
'inchi_key': 'WHVXMJOXKCTZQN-CGTFTFIYSA-N',
'name': '3(2H)-Furanone, 2-[(1S,3R,4R)-5,7-dihydroxy-4,7-dimethyl-8-oxo-3,6-bis[(2E,4E)-1-oxo-2,4-hexadien-1-yl]bicyclo[2.2.2]oct-5-en-2-yl]-5-hydroxy-2,4-dimethyl-, (2S)-\n(2S)-2-{(1S,3R,4R)-3,6-Di[(2E,4E)-2,4-hexadienoyl]-5,7-dihydroxy-4,7-dimethyl-8-oxobicyclo[2.2.2]oct-5-en-2-yl}-5-hydroxy-2,4-dimethyl-3(2H)-furanone\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C28H36O8/c1-13-11-17-25(6,28(23(33)34-8)21(31)14(2)20(30)26(13,28)7)12-16-19-24(4,5)18(35-15(3)29)9-10-27(17,19)22(32)36-16/h11,16-19,31H,9-10,12H2,1-8H3/t16?,17?,18-,19?,25-,26-,27+,28+/m1/s1\n',
'inchi_key': 'JYWRCSAWBUAIFO-KRRNMHNDSA-N',
'name': 'Methyl (3alpha,6alpha,9xi,14beta)-3-acetoxy-15-hydroxy-4,4,8,12,16-pentamethyl-17,19-dioxo-6,19-epoxyandrosta-11,15-diene-14-carboxylate\nAndrosta-11,15-diene-14-carboxylic acid, 3-(acetyloxy)-6,19-epoxy-15-hydroxy-4,4,8,12,16-pentamethyl-17,19-dioxo-, methyl ester, (3alpha,6alpha,9xi,14beta)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C28H37N3O7/c1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5,7,9-10,13,16-17,19-20,23,26,32H,6,8,11-12,14-15H2,1-4H3,(H,29,34)\n',
'inchi_key': 'JOOMGSFOCRDAHL-UHFFFAOYSA-N',
'name': '(7R,10R,11R,12E,17E,19E,21S)-21-Hydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0~3,7~]octacosa-1(27),12,17,19,25(28)-pentaene-2,8,14,23-tetrone\n3H-21,18-Nitrilo-1H,22H-pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone, 8,9,14,15,24,25,26,26a-octahydro-14-hydroxy-4,12-dimethyl-3-(1-methylethyl)-, (3R,4R,5E,10E,12E,14S,26aR)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C29H33NO6/c1-17-13-24(35-19(3)27(31)30-16-21-9-11-22(12-10-21)28(32)33)26-18(2)23(29(34)36-25(26)14-17)15-20-7-5-4-6-8-20/h4-8,13-14,19,21-22H,9-12,15-16H2,1-3H3,(H,30,31)(H,32,33)/t19?,21-,22-\n',
'inchi_key': 'DSUHCVFNFSHVCM-GACLLYPNSA-N',
'name': 'trans-4-[({2-[(3-Benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[[4,7-dimethyl-2-oxo-3-(phenylmethyl)-2H-1-benzopyran-5-yl]oxy]-1-oxopropyl]amino]methyl]-, trans-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C29H33NO6/c1-17-23-13-14-25(18(2)26(23)36-29(34)24(17)15-20-7-5-4-6-8-20)35-19(3)27(31)30-16-21-9-11-22(12-10-21)28(32)33/h4-8,13-14,19,21-22H,9-12,15-16H2,1-3H3,(H,30,31)(H,32,33)/t19?,21-,22-\n',
'inchi_key': 'IDPOBLGKQBGXKZ-GACLLYPNSA-N',
'name': 'trans-4-[({2-[(3-Benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[[4,8-dimethyl-2-oxo-3-(phenylmethyl)-2H-1-benzopyran-7-yl]oxy]-1-oxopropyl]amino]methyl]-, trans-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C29H37NO3/c1-19-9-8-12-25-28(19,3)15-13-20(2)29(25,4)18-22-26(32)23(17-24(31)27(22)33)30-16-14-21-10-6-5-7-11-21/h5-7,10-11,17,20,25,30,33H,1,8-9,12-16,18H2,2-4H3/t20-,25+,28+,29+/m0/s1\n',
'inchi_key': 'CVUGQYANPDQHFV-JEDUBMGFSA-N',
'name': '2-Hydroxy-5-[(2-phenylethyl)amino]-3-{[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylenedecahydro-1-naphthalenyl]methyl}-1,4-benzoquinone\n2,5-Cyclohexadiene-1,4-dione, 3-[[(1R,2S,4aS,8aS)-decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl]methyl]-2-hydroxy-5-[(2-phenylethyl)amino]-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C30H24O9/c1-10-7-13-20-19-12(26(33)28(35)29(13)38-5)8-15(36-3)22-16(37-4)9-14(32)21(24(19)22)25-23(20)17(10)18(11(2)31)30(39-6)27(25)34/h8-9,32H,7H2,1-6H3,(H,33,35)\n',
'inchi_key': 'KPGRZWCQXQUGHK-UHFFFAOYSA-N',
'name': '6-Acetyl-1,9-dihydroxy-3,7,11,12-tetramethoxy-5-methyl-2H-cyclohepta[ghi]perylene-2,8(4H)-dione\n2H-Cyclohepta[ghi]perylene-2,8(4H)-dione, 6-acetyl-1,9-dihydroxy-3,7,11,12-tetramethoxy-5-methyl-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C30H26O10/c1-10(31)25-24-22-16-11(9-30(25,2)36)28(39-5)26(34)17-12(32)7-14(37-3)19(21(16)17)20-15(38-4)8-13(33)18(23(20)22)27(35)29(24)40-6/h7-8,25,32,35-36H,9H2,1-6H3/t25-,30+/m0/s1\n',
'inchi_key': 'URTOHKHBNYPGQJ-SETSBSEESA-N',
'name': '(1S,2R)-1-Acetyl-2,6,12-trihydroxy-4,8,9,13-tetramethoxy-2-methyl-2,3-dihydro-1H-cyclohepta[ghi]perylene-5,11-dione\n1H-Cyclohepta[ghi]perylene-5,11-dione, 1-acetyl-2,3-dihydro-2,6,12-trihydroxy-4,8,9,13-tetramethoxy-2-methyl-, (1S,2R)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C30H26O13/c31-16-5-1-14(2-6-16)3-8-25(36)40-13-24-26(37)27(38)28(39)30(43-24)42-23-12-18-20(34)10-17(32)11-22(18)41-29(23)15-4-7-19(33)21(35)9-15/h1-12,24,26-28,30,37-39H,13H2,(H4-,31,32,33,34,35,36)/t24-,26-,27+,28-,30?/m1/s1\n',
'inchi_key': 'QAOBEOXFSUJDJL-CQMULRQDSA-N',
'name': '2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl 6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside\nbeta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl 6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C30H26O13/c31-16-5-3-15(4-6-16)29-23(12-18-20(34)10-17(32)11-22(18)41-29)42-30-28(39)27(38)26(37)24(43-30)13-40-25(36)8-2-14-1-7-19(33)21(35)9-14/h1-12,24,26-28,30,37-39H,13H2,(H4-,31,32,33,34,35,36)/t24-,26-,27+,28-,30-/m1/s1\n',
'inchi_key': 'OUWGZZOPFVOIFO-SHPGVJHPSA-N',
'name': '5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-chromeniumyl 6-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-beta-D-galactopyranoside\nbeta-D-Galactopyranoside, 5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium-3-yl 6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C31H44N2O6/c1-23(21-29(35)32-20-12-8-11-15-28(34)33-22-30(36)38-5)16-17-24(2)31(39-6)25(3)27(37-4)19-18-26-13-9-7-10-14-26/h7,9-10,12-14,16-21,24-25,27,31H,8,11,15,22H2,1-6H3,(H,32,35)(H,33,34)\n',
'inchi_key': 'YIOSSWUAQNGRSJ-UHFFFAOYSA-N',
'name': 'Methyl N-[(5Z)-6-{[(2E,4E,6S,7S,8R,9S,10E)-7,9-dimethoxy-3,6,8-trimethyl-11-phenyl-2,4,10-undecatrienoyl]amino}-5-hexenoyl]glycinate\nGlycine, N-[(5Z)-6-[[(2E,4E,6S,7S,8R,9S,10E)-7,9-dimethoxy-3,6,8-trimethyl-1-oxo-11-phenyl-2,4,10-undecatrien-1-yl]amino]-1-oxo-5-hexen-1-yl]-, methyl ester\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C32H32N4O3/c1-38-23-12-13-29(39-2)26(18-23)31-30-25(24-10-6-7-11-27(24)34-30)19-28(35-31)32(37)33-22-14-16-36(17-15-22)20-21-8-4-3-5-9-21/h3-13,18-19,22,35H,14-17,20H2,1-2H3,(H,33,37)\n',
'inchi_key': 'DSSCFCVACIIGBB-UHFFFAOYSA-N',
'name': 'N-(1-Benzyl-4-piperidinyl)-1-(2,5-dimethoxyphenyl)-2H-beta-carboline-3-carboxamide\n2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(2,5-dimethoxyphenyl)-N-[1-(phenylmethyl)-4-piperidinyl]-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C33H34N4O4/c1-39-28-17-22(18-29(40-2)32(28)41-3)30-31-25(24-11-7-8-12-26(24)35-31)19-27(36-30)33(38)34-23-13-15-37(16-14-23)20-21-9-5-4-6-10-21/h4-12,17-19,23,36H,13-16,20H2,1-3H3,(H,34,38)\n',
'inchi_key': 'DMZLQLNKJANREG-UHFFFAOYSA-N',
'name': '2H-Pyrido[3,4-b]indole-3-carboxamide, N-[1-(phenylmethyl)-4-piperidinyl]-1-(3,4,5-trimethoxyphenyl)-\nN-(1-Benzyl-4-piperidinyl)-1-(3,4,5-trimethoxyphenyl)-2H-beta-carboline-3-carboxamide\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C33H40O19/c1-11-21(37)24(40)27(43)31(47-11)46-10-20-23(39)26(42)29(45)33(52-20)50-18-8-15-16(48-30(18)12-2-4-13(35)5-3-12)6-14(36)7-17(15)49-32-28(44)25(41)22(38)19(9-34)51-32/h2-8,11,19-29,31-34,37-45H,9-10H2,1H3,(H-,35,36)/t11-,19+,20-,21-,22+,23-,24+,25-,26+,27+,28+,29-,31?,32?,33?/m0/s1\n',
'inchi_key': 'YTMOEUVNNYCFEO-WHZYSMHESA-N',
'name': 'beta-D-Glucopyranoside, 5-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-\n5-(beta-D-Glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-3-chromeniumyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C36H36O17/c37-14-25-28(42)30(44)32(46)36(52-25)51-24-13-21-22(49-34(24)17-4-8-19(39)9-5-17)11-20(40)12-23(21)50-35-33(47)31(45)29(43)26(53-35)15-48-27(41)10-3-16-1-6-18(38)7-2-16/h1-13,25-26,28-33,35-37,42-47H,14-15H2,(H2-,38,39,40,41)/t25-,26-,28-,29-,30+,31+,32-,33-,35?,36?/m1/s1\n',
'inchi_key': 'GBDTYZCMNRLPES-NFETXEPXSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C5H10BO7/c1-4-5(8,3(7)2-11-4)13-6(9,10)12-4/h3,7-10H,2H2,1H3/t3-,4+,5+/m0/s1\n',
'inchi_key': 'QKXUXRIZSROVFA-VPENINKCSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C5H5NO2/c7-5-2-1-3-6(8)4-5/h1-4H,(H-,7,8)\n',
'inchi_key': 'UUOCOSWXLKRDRD-UHFFFAOYSA-N',
'name': 'Pyridinium, 1,3-dihydroxy-\n1,3-Dihydroxypyridinium\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C5H6N5O2/c6-3-2(8-1-11)4(12)10-5(7)9-3/h1H,(H,8,11)(H4,6,7,9,10,12)/q-1/p+1\n',
'inchi_key': 'MFIUKRIIWIMTRU-UHFFFAOYSA-O',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)/b7-4-\n',
'inchi_key': 'FLOSMHQXBMRNHR-DAXSKMNVSA-N',
'name': 'Acetamide, N-[(2Z)-5-(aminosulfonyl)-3-methyl-1,3,4-thiadiazol-2(3H)-ylidene]-\nN-[(2Z)-3-Methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene]acetamide\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C6H6N4O/c1-10-3-9-5-4(6(10)11)7-2-8-5/h2-3,11H,1H3\n',
'inchi_key': 'JWVQLFKXYDKWGT-UHFFFAOYSA-N',
'name': '1H-Purin-6-ol, 1-methyl-\n1-Methyl-1H-purin-6-ol\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6,10,15H,1-5H2,(H2,11,12)\n',
'inchi_key': 'IHGXBAMAHRLAOP-UHFFFAOYSA-N',
'name': '2-Pyrimidinamine, 1,6-dihydro-1-hydroxy-6-imino-4-(1-piperidinyl)-\n2-Amino-6-imino-4-(1-piperidinyl)-1(6H)-pyrimidinol\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6H,1-5,10H2,(H2,11,12)\n',
'inchi_key': 'ZFMITUMMTDLWHR-UHFFFAOYSA-N',
'name': '6-(1-Piperidinyl)-2,4-pyrimidinediamine 3-oxide\n2,4-Pyrimidinediamine, 6-(1-piperidinyl)-, 3-oxide\n2-Imino-6-(1-piperidinyl)-1,2-dihydro-4-pyrimidinamine 3-oxide\n4-Pyrimidinamine, 1,2-dihydro-2-imino-6-(1-piperidinyl)-, 3-oxide\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': 'InChI=1S/C9H16N3O14P3/c10-8-5(14)2-12(9(15)11-8)7-1-4(13)6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h2,4,6-7,13-14H,1,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)\n',
'inchi_key': 'APWMGTRTGVBXNC-UHFFFAOYSA-N',
'name': "2'-Deoxy-5-hydroxycytidine 5'-(tetrahydrogen triphosphate)\nCytidine, 2'-deoxy-5-hydroxy-, 5'-(tetrahydrogen triphosphate)\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'DENGDVFMBXPISV-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'WZYRMLAWNVOIEX-OEXCPVAWSA-N',
'name': '3,6-Anhydro-D-galactose\nD-Galactose, 3,6-anhydro-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'VWISETUMIDLNDD-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'DJQYBVLXBVJHMU-ZRJGNOHYSA-N',
'name': '5-Hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one\nBicyclo[2.2.1]heptan-2-one, 5-hydroxy-1,7,7-trimethyl-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'FKVPHUGFNJWBDU-SFYZADRCSA-N',
'name': '3-(2-Cyclohexen-1-yl)alanine\n2-Cyclohexene-1-propanoic acid, alpha-amino-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'SXZYCXMUPBBULW-JOUZMPNTSA-N',
'name': '(3S,4R,5R)-5-[(1S)-1,2-Dihydroxyethyl]-3,4-dihydroxydihydro-2(3H)-furanone\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'JCKHHAYDDJCHDQ-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'JVWWETLVTAAZCE-UHFFFAOYSA-N',
'name': '4-(1-Methyl-3-pyrrolidiniumyl)-3-oxobutanoate\n3-Pyrrolidinebutanoic acid, 1-methyl-beta-oxo-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'FIXDIFPJOFIIEC-LWOQYNTDSA-N',
'name': 'Butanamide, 3-hydroxy-N-[(3S)-tetrahydro-2-oxo-3-furanyl]-\n3-Hydroxy-N-[(3S)-2-oxotetrahydro-3-furanyl]butanamide\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'KAKDQIHSFKUVOK-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'BUQICHWNXBIBOG-ACHVEOLNSA-N',
'name': 'L-Alanyl-L-threonine\nL-Threonine, L-alanyl-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'SNXJMSVHWSIWAN-ONEGZZNKSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'GBHWSZVYPRVYEL-WCMLQCRESA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'GZBQSTOJPZXQTH-NKWVEPMBSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'HAEZWMIMFXBBFL-NKWVEPMBSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'STSOHAOGZMLWFR-SSDLBLMSSA-N',
'name': '1H-2-Benzopyran-1-one, 3,4-dihydro-4,8-dihydroxy-3-methyl-, (3S,4S)-\n(3S,4S)-4,8-Dihydroxy-3-methyl-3,4-dihydro-1H-isochromen-1-one\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'GUOJZFSYQUIYCN-UHFFFAOYSA-N',
'name': '(2E)-3-(2,4,5-Trihydroxyphenyl)acrylic acid\n2-Propenoic acid, 3-(2,4,5-trihydroxyphenyl)-, (2E)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ZDUUJTSRZWILGW-UHFFFAOYSA-N',
'name': '(2E)-3-(4,6-Dihydroxy-3-oxo-1,4-cyclohexadien-1-yl)acrylic acid\n2-Propenoic acid, 3-(4,6-dihydroxy-3-oxo-1,4-cyclohexadien-1-yl)-, (2E)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'BZERNUNGDGOGBZ-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'WSIQDXJPYUPREA-UHFFFAOYSA-N',
'name': '3-(4-Methoxy-2,4-dioxobutyl)-1-methylpyrrolidinium\n3-Pyrrolidinebutanoic acid, 1-methyl-beta-oxo-, methyl ester, conjugate acid\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'BONQGFBLZGPXMG-XYTVBMGWSA-N',
'name': '(2S,3R,5S)-3-(2-Aminoethyl)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid\n4-Oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-(2-aminoethyl)-7-oxo-, (2S,3R,5S)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'AWJLARVNMUSPPN-RNHFCUEFSA-N',
'name': '(3R,4R)-4,7,8-Trihydroxy-3-methyl-3,4-dihydro-1H-isochromen-1-one\n1H-2-Benzopyran-1-one, 3,4-dihydro-4,7,8-trihydroxy-3-methyl-, (3R,4R)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'HJANBNTTXAMMKB-UHFFFAOYSA-N',
'name': '3-Hydroxy-4-(4-methoxy-2,4-dioxobutyl)-1-methylpyrrolidinium\n3-Pyrrolidinebutanoic acid, 4-hydroxy-1-methyl-beta-oxo-, methyl ester, conjugate acid\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'HBBAYUWHMCZRLK-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'UWYXBJNIIQWVFI-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'NHUYGTCSYVBPOA-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'YVNOSMHDDYFOEO-UHFFFAOYSA-N',
'name': 'Hexanoic acid, 3-[[(3S)-3-amino-1-oxobutyl]amino]-5-methyl-, (3S)-\n(3S)-3-{[(3S)-3-Aminobutanoyl]amino}-5-methylhexanoic acid\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'RXSSJEZNYYKUBE-CXTNEJHOSA-N',
'name': '2-Isopropenyl-10-methyl-8-oxospiro[4.5]decane-6-carbaldehyde\nSpiro[4.5]decane-6-carboxaldehyde, 10-methyl-2-(1-methylethenyl)-8-oxo-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ZKCUSCDHGAMOSP-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'JRTWWOUOCKPCLR-QMMMGPOBSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ZKHKOMMILZRCOW-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'BMSSTXPSRCSJBF-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'VVBOYOOUAHKCCJ-PBXRRBTRSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'LTQYLODCHJEYLN-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'YMZGFUXICVDSSV-RITPCOANSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'NCKCFKKDTKRSBR-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'LMJMJHGFJXZGDE-WKMLJHOTSA-N',
'name': '(2S)-2-Hydroxy-11,11-dimethyl-8-methylenebicyclo[7.2.0]undec-4-ene-4-carboxylic acid\nBicyclo[7.2.0]undec-4-ene-4-carboxylic acid, 2-hydroxy-11,11-dimethyl-8-methylene-, (2S)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'RHJXZAWQBJGJJP-YFHOEESVSA-N',
'name': 'S-[(1Z)-N-Hydroxy-4-(methylsulfanyl)butanimidoyl]cysteine\nCysteine, S-[(1Z)-1-(hydroxyimino)-4-(methylthio)butyl]-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'QZOJYMPLANTYKQ-UJURSFKZSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'DPHQZNQYOOCWSR-RAXLEYEMSA-N',
'name': 'S-[(1Z)-N-Hydroxy-2-phenylethanimidoyl]-L-cysteine\nL-Cysteine, S-[(1Z)-1-(hydroxyimino)-2-phenylethyl]-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'DYJIDGJHOLTGBO-ZETCQYMHSA-N',
'name': 'Phenylalanine, 2-carboxy-3-hydroxy-5-methoxy-\n2-Carboxy-3-hydroxy-5-methoxyphenylalanine\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'KJKIEFUPAPPGBC-SUEYYJLCSA-N',
'name': '2-Amino-6-(1,2-dihydroxypropyl)-4a-hydroxy-4a,5,6,7-tetrahydro-4(1H)-pteridinone\n4(4aH)-Pteridinone, 2-amino-6-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-4a-hydroxy-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'JAQUASYNZVUNQP-NZEUDUFCSA-N',
'name': 'Morphinan-3-ol, 17-methyl-\n17-Methylmorphinan-3-ol\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'JIKBULJEVPQGOT-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'SRAZIDLUTMRWNZ-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'PRIHHXHWVNIQPJ-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'WEWBWVMTOYUPHH-UDWHLRJGSA-N',
'name': 'Butanenitrile, 2-(beta-D-glucopyranosyloxy)-2-methyl-, (2R)-\n(2R)-2-(beta-D-Glucopyranosyloxy)-2-methylbutanenitrile\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ABCIYWCIWZHVKW-GPKIVXDWSA-N',
'name': 'L-Proline, 4-(beta-L-arabinofuranosyloxy)-, (4S)-\n(2S,4S)-4-(beta-L-Arabinofuranosyloxy)-2-pyrrolidiniumcarboxylate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'XVPBINOPNYFXID-OOKGIHQLSA-N',
'name': "1H,5H,10H-Dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one, dodecahydro-, 4-oxide, (7aS,13aR,13bR,13cS)-\n(7aS,13aR,13bR,13cS)Dodecahydro-1H,5H,10H-dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one 4-oxide\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'AFMWJPLASJKQNL-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'KVNCRIJPZGYHJQ-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'JVJPJZKJPOLGJR-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'XFOUAXMJRHNTOP-UHFFFAOYSA-N',
'name': 'L-Alanyl-3-[(1R,2R,6R)-5-oxo-7-oxabicyclo[4.1.0]hept-2-yl]-L-alanine\nL-Alanine, L-alanyl-3-[(1R,2R,6R)-5-oxo-7-oxabicyclo[4.1.0]hept-2-yl]-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'YZOIGUQJFCQTJK-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'NVXHLYRVFXNJGK-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'DQUHDYWUEKWRLN-BKXYZSJASA-N',
'name': 'Kaur-15-ene\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'USSUVFXOPIVVBV-SJFDSXDNSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'KYLKKZSVPLUGCC-GGPKGHCWSA-N',
'name': 'Naphthalene, decahydro-1,1,4a-trimethyl-6-methylene-5-(3-methylene-4-penten-1-yl)-, (4aS,5S,8aS)-\n(4aS,5S,8aS)-1,1,4a-Trimethyl-6-methylene-5-(3-methylene-4-penten-1-yl)decahydronaphthalene\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ASPVQUYRFYUDSC-GGPKGHCWSA-N',
'name': 'Abieta-8(14),12-diene\nPhenanthrene, 1,2,3,4,4a,4b,5,9,10,10a-decahydro-1,1,4a-trimethyl-7-(1-methylethyl)-, (4aS,4bS,10aS)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'DTIVNEHSCKVQIB-FAUFDBKOSA-N',
'name': 'Naphthalene, 1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-(3-methylene-4-penten-1-yl)-, (1R,2R,4aS,8aS)-\n(3R,4R,4aS,8aS)-3,4,8,8a-Tetramethyl-4-(3-methylene-4-penten-1-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'OMGXVAYOASVJMO-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'XKQZIXVJVUPORE-IWGUZYHVSA-N',
'name': 'D-Ribitol, 1-[(5-amino-1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinyl)amino]-1-deoxy-\n1-[(5-Amino-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)amino]-1-deoxy-D-ribitol\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'DFXLVZGBDKPTEZ-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'FNCNQQDYISRCJG-GVLTWOEFSA-N',
'name': "7,14-Methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine-4-carboxylic acid, dodecahydro-, (7aS,14aR)-\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'CPVQJXZBSGXTGJ-XWRMVOQVSA-N',
'name': '2,6-Nonadienoic acid, 9-[(2R,3S)-3-ethyl-3-methyloxiranyl]-3,7-dimethyl-, methyl ester, (2E,6E)-\nMethyl (2E,6E)-9-[(2R,3S)-3-ethyl-3-methyl-2-oxiranyl]-3,7-dimethyl-2,6-nonadienoate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'HANDMAIZTZRPTQ-HINBKQSHSA-N',
'name': '5-O-alpha-L-Arabinofuranosyl-alpha-L-arabinofuranose\nalpha-L-Arabinofuranose, 5-O-alpha-L-arabinofuranosyl-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'GBHKILLDPRFXNU-UHFFFAOYSA-N',
'name': '(2E,4E)-5-[1,4-Dihydroxy-6-(hydroxymethyl)-2,6-dimethyl-2-cyclohexen-1-yl]-3-methyl-2,4-pentadienoic acid\n2,4-Pentadienoic acid, 5-[1,4-dihydroxy-6-(hydroxymethyl)-2,6-dimethyl-2-cyclohexen-1-yl]-3-methyl-, (2E,4E)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'BLUAFEHZUWYNDE-KNAQKBOSSA-N',
'name': '(1R,4S,5S,8S,9S,12S,13R)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0~4,13~.0~8,13~]hexadecan-10-one\n3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10(3H)-one, octahydro-3,6,9-trimethyl-, (3R,5aS,6S,8aS,9S,12S,12aR)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'KLAFICXHZAHAGT-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'OYIQHKZOLDEPNH-KAMPLNKDSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'NQGSPODDMCKPBZ-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'HPFBDDHVNYWUGF-UHFFFAOYSA-N',
'name': '(3alpha,5beta,10alpha)-Pimara-9(11),15-dien-3-ol\n2-Phenanthrenol, 7-ethenyl-1,2,3,4,4a,6,7,8,8a,9,10,10a-dodecahydro-1,1,4a,7-tetramethyl-, (2R,4aR,7R,8aS,10aS)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'QCGCETFHYOEVAI-UHFFFAOYSA-N',
'name': 'L-Arginine, L-beta-aspartyl-\nL-beta-Aspartyl-L-arginine\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'YUQDHODIJULBAQ-IRHLINNNSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'MHASSCPGKAMILD-JTZQFXNDSA-N',
'name': '(15alpha,19E)-Sarpagan-17-al\nSarpagan-17-al, (15alpha)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'MHASSCPGKAMILD-BYOBSXKMSA-N',
'name': 'Sarpagan-17-al\n(19E)-Sarpagan-17-al\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'GZRUEMAXFZIEER-RAXLEYEMSA-N',
'name': 'S-[(1E)-N-Hydroxy-7-(methylsulfanyl)heptanimidoyl]cysteine\nCysteine, S-[(1E)-1-(hydroxyimino)-7-(methylthio)heptyl]-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'SERYQFDKEYVUFP-UHFFFAOYSA-N',
'name': 'Indolo[2,3-a]quinolizine-2-acetaldehyde, 3-ethenyl-1,2,3,4,6,7,12,12b-octahydro-\nCoryn-18-en-17-al\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'BFYIZQONLCFLEV-SQOWSMRPSA-N',
'name': 'Androsta-1,4-diene-3,17-dione, 6-methylene-\n6-Methyleneandrosta-1,4-diene-3,17-dione\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'QXNYALKSDQNMBV-JLHYYAGUSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'GTQKOJVFDJDUGN-LGVBIDJRSA-N',
'name': 'beta-D-Glucopyranose, 1-(2-aminobenzoate)\n1-O-(2-Aminobenzoyl)-beta-D-glucopyranose\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'DYVUUJWYBBENAM-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'VGLBFRZJJZBAST-CHPOKUKFSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'CQOQDQWUFQDJMK-ZGPDXJMCSA-N',
'name': 'Estra-1(10),2,4-triene-3,17-diol, 2-methoxy-, (9beta,17alpha)-\n(9beta,17alpha)-2-Methoxyestra-1(10),2,4-triene-3,17-diol\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'QOWLIQGNZBOQNG-SUPRNMTFSA-N',
'name': '9(1H)-Phenanthrenone, 7-ethenyl-2,3,4,4a,4b,5,6,7,10,10a-decahydro-2-hydroxy-1,1,4a,7-tetramethyl-, (2R,4aR,4bS,7S,10aS)-\n(3alpha,5beta,9beta,10alpha)-3-Hydroxypimara-8(14),15-dien-7-one\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'NIKHGUQULKYIGE-ADPGWCSISA-N',
'name': '(5beta,8alpha,9beta,10alpha)-Kaur-16-en-18-oic acid\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'PJHHQGQQTSEDMC-HOCLYGCPSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'XJFFAIUWFQCZMP-XFFZJAGNSA-N',
'name': '5-[2-(Diethylcarbamoyl)-1-buten-3-yn-1-yl]-2-hydroxy-3-nitrophenolate\n3-Butynamide, 2-[(3,4-dihydroxy-5-nitrophenyl)methylene]-N,N-diethyl-, ion(1-)\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'WWSNTLOVYSRDEL-FBWQAJLLSA-N',
'name': '2H-Pyran-2-one, 6-[2-[(1S,2S,8S,8aR)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2-methyl-1-naphthalenyl]ethyl]tetrahydro-4-hydroxy-, (4R,6R)-\n(4R,6R)-4-Hydroxy-6-{2-[(1S,2S,8S,8aR)-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydro-1-naphthalenyl]ethyl}tetrahydro-2H-pyran-2-one\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'CKTLJJYDUPSLCZ-UHFFFAOYSA-N',
'name': '3H-Benzo[a]fluorene-4,11-dione, 3,6,7-trihydroxy-3-methyl-, (3S)-\n(3S)-3,6,7-Trihydroxy-3-methyl-3H-benzo[a]fluorene-4,11-dione\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'CRFBBNBNLWWNBP-JYRVWZFOSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'NZMLLYZLUYBOGO-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'PNUQCGVJIJFTAX-SWAWKDMHSA-N',
'name': '6-({(1Z)-1-[(1S,5R)-6,6-Dimethyl-3-oxobicyclo[3.1.0]hex-2-ylidene]ethyl}amino)-2H-chromen-2-one\n2H-1-Benzopyran-2-one, 6-[[(1Z)-1-[(1S,5R)-6,6-dimethyl-3-oxobicyclo[3.1.0]hex-2-ylidene]ethyl]amino]-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'JUSRSHKQWKDVMR-CMDGGOBGSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'IMSSROKUHAOUJS-HGJUEJDCSA-N',
'name': 'Estra-1,3,5(10)-trien-17-ol, 17-ethynyl-3-methoxy-, (9beta,17alpha)-\n(9beta)-3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'SIGSPDASOTUPFS-MFHSYZQISA-N',
'name': '(8R,9S,10R,13S,14S,17R)-13-Ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'FRNQPMDCZLCKPZ-WJDWOHSUSA-N',
'name': '{[(2R)-2-Ammonio-3-{[(1Z)-N-hydroxy-2-phenylethanimidoyl]sulfanyl}propanoyl]amino}acetate\nGlycine, S-[(1Z)-1-(hydroxyimino)-2-phenylethyl]-L-cysteinyl-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'RNCIERMYMLFYAO-UHFFFAOYSA-N',
'name': '6H-[1,3]Dioxolo[4,5-g]indolo[7a,1-a]isoquinolin-6-one, 1,2,8,9-tetrahydro-2-methoxy-, (2R,14bS)-\n(2R,14bS)-2-Methoxy-1,2,8,9-tetrahydro-6H-[1,3]dioxolo[4,5-g]indolo[7a,1-a]isoquinolin-6-one\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'FQXXSQDCDRQNQE-ZNZDAUKMSA-N',
'name': 'Morphinan, 6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methyl-, (5alpha)-\n(5alpha)-3,6-Dimethoxy-17-methyl-6,7,8,14-tetradehydro-4,5-epoxymorphinan\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'AZFLJNIPTRTECV-MTQWCTHYSA-N',
'name': 'Acetonitrile, 2-[(17beta)-17-hydroxy-3-oxoestra-4,9-dien-17-yl]-\n(17alpha)-17-Hydroxy-3-oxo-19-norpregna-4,9-diene-21-nitrile\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'FQAWNEKTCNOEFV-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'QYNRIDLOTGRNML-AXDFMPPISA-N',
'name': 'D-Glucopyranose, 6-O-alpha-L-arabinopyranosyl-\n6-O-alpha-L-Arabinopyranosyl-D-glucopyranose\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'QYNRIDLOTGRNML-YWVAXALASA-N',
'name': '6-O-alpha-L-Arabinopyranosyl-D-glucopyranose\nD-Glucopyranose, 6-O-alpha-L-arabinopyranosyl-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'WWYNJERNGUHSAO-MFHSYZQISA-N',
'name': '(8R,9R,10R,13S,14S,17S)-13-Ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'CHNXZKVNWQUJIB-QMFSVNIWSA-N',
'name': 'Pregn-4-en-20-yn-3-one, 17-hydroxy-, (9beta)-\n(9beta)-17-Hydroxypregn-4-en-20-yn-3-one\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'VBJYPSPIKMUCLP-UHFFFAOYSA-N',
'name': '(2R,9R,14bS)-2-Methoxy-2,6,8,9-tetrahydro-1H-[1,3]dioxolo[4,5-g]indolo[7a,1-a]isoquinolin-9-ol\n1H-[1,3]Dioxolo[4,5-g]indolo[7a,1-a]isoquinolin-9-ol, 2,6,8,9-tetrahydro-2-methoxy-, (2R,9R,14bS)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'YEBIHIICWDDQOL-UHFFFAOYSA-N',
'name': '1-[(6R)-2-Amino-2-deoxy-L-altro-hexodialdo-6,3-furanosyl]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid\n5-Pyrimidinecarboxylic acid, 1-[(6R)-2-amino-2-deoxy-L-altro-hexodialdo-6,3-furanosyl]-1,2,3,4-tetrahydro-2,4-dioxo-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'QGJUIPDUBHWZPV-BBIKMUCQSA-N',
'name': '(1R,3S,5S)-2-[(2S)-2-Amino-2-(3-hydroxyadamantan-1-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile\n2-Azabicyclo[3.1.0]hexane-3-carbonitrile, 2-[(2S)-2-amino-2-(3-hydroxytricyclo[3.3.1.1~3,7~]dec-1-yl)acetyl]-, (1R,3S,5S)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'QZJVBGCZOLNWHW-AWEZNQCLSA-N',
'name': '5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one\n4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'BJGUEPXNQKBVBW-UHFFFAOYSA-N',
'name': '2-Benzoxepin-4-carboxylic acid, 9-(chloromethyl)-1,3,5a,6,7,8,9,9a-octahydro-9-hydroxy-6-(1-methylethyl)-1-oxo-, (5aS,6R,9S,9aS)-\n(5aS,6R,9S,9aS)-9-(Chloromethyl)-9-hydroxy-6-isopropyl-1-oxo-1,3,5a,6,7,8,9,9a-octahydro-2-benzoxepine-4-carboxylic acid\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'XVEOIKIXOSKAFL-SDHKOVJQSA-N',
'name': '2,5-Phenanthrenedione, 7-ethenyl-1,3,4,4a,4b,8,8a,9,10,10a-decahydro-3-hydroxy-1,1,4a,8-tetramethyl-, (3S,4aS,4bS,8R,8aS,10aR)-\n(2beta,14alpha)-2-Hydroxy-14-methyl-13-vinylpodocarp-12-ene-3,11-dione\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'SPZLJXUKZRAIQP-YHKNOMCPSA-N',
'name': '4H-Phenanthro[10,1-bc]furan-4-one, 8-ethenyl-1,2,3,3a,5a,7,8,9,10,10a,10b,10c-dodecahydro-3-hydroxy-3a,8,10b-trimethyl-, (3S,3aR,5aR,8R,10aR,10bR,10cR)-\n(3beta,6beta,9beta)-3-Hydroxy-6,18-epoxypimara-7,15-dien-18-one\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ORNBQBCIOKFOEO-SPKZCENISA-N',
'name': 'Pregn-5-en-20-one, 3-hydroxy-, (3beta,9beta,17alpha)-\n(3beta,9beta,17alpha)-3-Hydroxypregn-5-en-20-one\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'FQHXRDDMWDQLPV-VQHVLOKHSA-N',
'name': '10-Undecenoic acid, 11-[5-(aminocarbonyl)-1,4-dihydro-4-oxo-2-pyridinyl]-, (10E)-\n(10E)-11-(5-Carbamoyl-4-oxo-1,4-dihydro-2-pyridinyl)-10-undecenoic acid\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'IHMAXICTBCXOER-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'FPKWDSJLQYQAEF-ZROIWOOFSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'FRNDILDQFSAXAR-ZPUQHVIOSA-N',
'name': 'Benzoic acid, 5-hydroxy-2-[[(2E,4E)-5-(4-hydroxyphenyl)-1-oxo-2,4-pentadien-1-yl]amino]-\n5-Hydroxy-2-{[(2E,4E)-5-(4-hydroxyphenyl)-2,4-pentadienoyl]amino}benzoic acid\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'FVXCQULKSPVRPK-OAHLLOKOSA-N',
'name': '9-Methoxy-6,11,12,14-tetrahydro-6aH-[1,3]dioxolo[4,5-h]isoquinolino[2,1-b]isoquinolin-8-ol\n12H-Benzo[a]-1,3-benzodioxolo[4,5-g]quinolizin-8-ol, 6,6a,11,14-tetrahydro-9-methoxy-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'VSCSJMRNBGGEEP-AWEZNQCLSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'QHXVVXFKMCBBML-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'JLHICJAGAFHZKI-GHXNOFRVSA-N',
'name': '4,5,6-Trihydroxy-3-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (1Z)-N-hydroxy-4-(methylsulfanyl)butanimidothioate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'WQOZASFQHLTUGJ-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'NDXBMSVOGTXESQ-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'GFSAAWPDCQHEAN-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'PIWJSAMCEMZIDO-OJSGUWJYSA-N',
'name': 'Hetisan-2,11,13-triol\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'KVJXBPDAXMEYOA-PZQIITASSA-N',
'name': '(4alpha,5alpha,9beta,17alpha)-3,17-Dihydroxy-4,5-epoxyandrost-2-ene-2-carbonitrile\nAndrost-2-ene-2-carbonitrile, 4,5-epoxy-3,17-dihydroxy-, (4alpha,5alpha,9beta,17alpha)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'OXKICPFMIQVYCB-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ZPAJZAMPZXISSE-NCDNKOBQSA-N',
'name': '4-{3-[(1E,3E,5Z,8Z,10E,12R)-12-Hydroxy-1,3,5,8,10-tetradecapentaen-1-yl]-2-oxiranyl}butanoic acid\n2-Oxiranebutanoic acid, 3-[(1E,3E,5Z,8Z,10E,12R)-12-hydroxy-1,3,5,8,10-tetradecapentaen-1-yl]-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'SDVHSXZSEQRFSU-BQYQJAHWSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ZNUBMQUXCKZUTC-ICODSBEASA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'HKODIGSRFALUTA-GMWZVWMNSA-N',
'name': '(15Z)-12-Hydroxysenecionan-11,16-dione\n[1,6]Dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione, 3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6-hydroxy-5,6-dimethyl-, (3Z,5R,6R,14aR,14bR)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'GFHBTMZMBLDKKA-CSKARUKUSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'NNTFOZKQHHVOHU-GDNBJRDFSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'XSNPKRVRWPBMKE-UHFFFAOYSA-N',
'name': 'Hexopyranose, 4-[2-(1H-indol-3-yl)acetate]\n4-O-(1H-Indol-3-ylacetyl)hexopyranose\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'DKHLXGMLDJKOFU-UHFFFAOYSA-N',
'name': '6-O-(1H-Indol-3-ylacetyl)hexopyranose\nHexopyranose, 6-[2-(1H-indol-3-yl)acetate]\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'FEQKQISWJNDCPC-AMWMCHQPSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'CDBWDMSUWPFBMG-UHFFFAOYSA-N',
'name': "(1aS,10R,10aS)-4,5-Dihydroxy-10-methoxy-1a-methyl-10,10a-dihydro-1aH-indeno[1',2':7,8]naphtho[2,3-b]oxirene-2,9-dione\n2H-Indeno[1',2':7,8]naphth[2,3-b]oxirene-2,9(1aH)-dione, 10,10a-dihydro-4,5-dihydroxy-10-methoxy-1a-methyl-, (1aS,10R,10aS)-\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'CAEGIOZCLWNLAP-UHFFFAOYSA-N',
'name': 'Benz[a]anthracene-7,12-dione, 1,2,3,4-tetrahydro-1,11-dihydroxy-8-methoxy-3-methyl-, (1S,3S)-\n(1S,3S)-1,11-Dihydroxy-8-methoxy-3-methyl-1,2,3,4-tetrahydro-7,12-tetraphenedione\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'SMXLQFFZIGGYHT-FMBGJPHTSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'CUKZGOBWGGOLIQ-GUQQXNEOSA-N',
'name': 'alpha-D-ribo-Hexopyranosid-3-ulose, beta-D-fructofuranosyl\nbeta-D-Fructofuranosyl alpha-D-ribo-hexopyranosid-3-ulose\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'WILLOUKDISBKTQ-URYVQPGZSA-N',
'name': 'Hexopyranose, 1-S-[(1E)-1-(hydroxyimino)-5-(methylthio)pentyl]-1-thio-\n1-S-[(1E)-N-Hydroxy-5-(methylsulfanyl)pentanimidoyl]-1-thiohexopyranose\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'GUBGYTABKSRVRQ-ZEGYYQOTSA-N',
'name': '4-O-alpha-D-Glucopyranosyl-beta-D-glucopyranose\nbeta-D-Glucopyranose, 4-O-alpha-D-glucopyranosyl-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'QIGJYVCQYDKYDW-QRFGTKGHSA-N',
'name': '3-O-beta-D-Glucopyranosyl-D-glucopyranose\nD-Glucopyranose, 3-O-beta-D-glucopyranosyl-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'HIWPGCMGAMJNRG-GNEHTNKWSA-N',
'name': '2-O-beta-D-Glucopyranosyl-alpha-D-glucopyranose\nalpha-D-Glucopyranose, 2-O-beta-D-glucopyranosyl-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'DLRVVLDZNNYCBX-RYZJEOIHSA-N',
'name': 'beta-D-Glucopyranose, 6-O-beta-D-glucopyranosyl-\n6-O-beta-D-Glucopyranosyl-beta-D-glucopyranose\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'HIWPGCMGAMJNRG-BSMKFRLKSA-N',
'name': '2-O-beta-D-Glucopyranosyl-alpha-D-glucopyranose\nalpha-D-Glucopyranose, 2-O-beta-D-glucopyranosyl-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'QIGJYVCQYDKYDW-ZHQKATEYSA-N',
'name': '3-O-beta-D-Glucopyranosyl-D-glucopyranose\nD-Glucopyranose, 3-O-beta-D-glucopyranosyl-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'XAPNKXIRQFHCHN-UHFFFAOYSA-N',
'name': '(3E)-3-[5-(5-Hydroxy-1H-indol-3-yl)-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]-1,3-dihydro-2H-indol-2-one\n2H-Indol-2-one, 3-[1,2-dihydro-5-(5-hydroxy-1H-indol-3-yl)-2-oxo-3H-pyrrol-3-ylidene]-1,3-dihydro-, (3E)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'OQMYRVPMCIOFHL-UHFFFAOYSA-N',
'name': '2-Propenamide, N,N-dimethyl-3-[(11R)-5,10,11,11a-tetrahydro-11-hydroxy-9-methoxy-5-oxo-1H-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl]-, (2E)-\n(2E)-3-[(11R)-11-Hydroxy-9-methoxy-5-oxo-5,10,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl]-N,N-dimethylacrylamide\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'IUVBKBWWRUPUTB-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'QFYFLJZBZITPGX-IWQYDBTJSA-N',
'name': '4-(3-Hydroxypropyl)-2-methoxyphenyl beta-D-glucopyranoside\nbeta-D-Glucopyranoside, 4-(3-hydroxypropyl)-2-methoxyphenyl\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'DYESEQWBWHUEDV-UHFFFAOYSA-N',
'name': '4-Oxazolidinecarboxamide, N-hydroxy-2-(5-hydroxy-6-oxo-2,4-cyclohexadien-1-ylidene)-N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-, (2Z,4R,5R)-\n(2Z,4R,5R)-N-Hydroxy-2-(5-hydroxy-6-oxo-2,4-cyclohexadien-1-ylidene)-N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-1,3-oxazolidine-4-carboxamide\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'IXORZMNAPKEEDV-OYEYCCDTSA-N',
'name': '(1R,2R,5S,8S,9S,10R,12S)-5,12-Dihydroxy-11-methyl-6-methylene-16-oxo-15-oxapentacyclo[9.3.2.1~5,8~.0~1,10~.0~2,8~]heptadec-13-ene-9-carboxylic acid\n4a,1-(Epoxymethano)-7,9a-methanobenz[a]azulene-10-carboxylic acid, 1,2,4b,5,6,7,8,9,10,10a-decahydro-2,7-dihydroxy-1-methyl-8-methylene-13-oxo-, (2S,4aR,4bR,7S,9aS,10S,10aR)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'FNEADFUPWHAVTA-CQKLCUKKSA-N',
'name': '12,14a,3-(Epoxymethanediylylidene)-2H-1-benzoxacyclododecin-2,4,8(5H,12H)-trione, 6,7,10a,11,13,14-hexahydro-11-hydroxy-5,7,13-trimethyl-, (5R,7S,9E,10aR,11R,12S,13R,14aR)-\n(1S,2R,3R,4E,7S,9R,14R,16R)-2-Hydroxy-7,9,16-trimethyl-13,17-dioxatetracyclo[9.5.2.0~3,14~.0~14,18~]octadeca-4,11(18)-diene-6,10,12-trione\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'VJOLPTVYFWUITI-UHFFFAOYSA-N',
'name': '[(1R,12S)-1-Isopropyl-8,12-dimethyl-15-oxabicyclo[10.2.1]pentadeca-2,4,8-trien-4-yl]methyl acetate\n15-Oxabicyclo[10.2.1]pentadeca-2,4,8-triene-4-methanol, 8,12-dimethyl-1-(1-methylethyl)-, acetate, (1R,12S)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'BOLGBOZCCGUULF-IRXDYDNUSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'BOLGBOZCCGUULF-IAGOWNOFSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'WSRCOMOWYVKWBE-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'LOILTCBRRAVDAF-JINALETGSA-N',
'name': '6,9-Epoxy-2H-1,4-dioxacyclodeca[cd]pentalene-2,7(6H)-dione, 2a,3,4a,5,11a,11b-hexahydro-3-hydroxy-2a,6,10-trimethyl-3-(1-methylethyl)-, (2aS,3R,4aS,6R,10Z,11aR,11bR)-\n(1S,3R,7Z,9R,12S,13R,15R)-13-Hydroxy-13-isopropyl-3,7,12-trimethyl-10,14,16-trioxatetracyclo[7.5.1.1~3,6~.0~12,15~]hexadeca-5,7-diene-4,11-dione\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'BGHABCOWYJWZFY-DUHMUFSNSA-N',
'name': '3,12b-Epoxy-12bH-12-oxabenzo[g]cycloocta[cd]pentalene-6,11(1H,7H)-dione, 2,3,4,4a,5,5a,8,9-octahydro-4,10-dihydroxy-2,7,9-trimethyl-, (2R,3R,4R,4aR,5aR,7S,9R,10Z,12aR,12bS)-\n(1R,2R,3R,5R,7S,9R,10Z,14R,16R,18S)-2,10-Dihydroxy-7,9,16-trimethyl-13,17-dioxapentacyclo[9.5.2.0~3,14~.0~5,18~.0~14,18~]octadec-10-ene-6,12-dione\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'CQUSWWXXDXWZBS-QSNRJONTSA-N',
'name': '(1R,2R,3R,7S,9R,14R,16R)-2-Hydroxy-7,9,16-trimethyl-13,17-dioxatetracyclo[9.5.2.0~3,14~.0~14,18~]octadec-11(18)-ene-6,10,12-trione\n12,14a,3-(Epoxymethanediylylidene)-2H-1-benzoxacyclododecin-2,4,8(5H,9H)-trione, 6,7,10,10a,11,12,13,14-octahydro-11-hydroxy-5,7,13-trimethyl-, (5R,7S,10aR,11R,12R,13R,14aR)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'GZOSMCIZMLWJML-APXSMTNNSA-N',
'name': '(3beta,9beta)-17-(3-Pyridinyl)androsta-5,16-dien-3-ol\nAndrosta-5,16-dien-3-ol, 17-(3-pyridinyl)-, (3beta,9beta)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'PQEHILHGDWJAOT-UYRXBGFRSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'QVJOPTIPSBKQAS-DSRXOSDUSA-N',
'name': 'Methyl (19Z)-17-oxo-1,2-didehydro-2,7-dihydrosarpagan-16-carboxylate\nSarpagan-16-carboxylic acid, 1,2-didehydro-2,7-dihydro-17-oxo-, methyl ester, (19trans)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'JIOJPWROWDJRKM-RVFOFSJRSA-N',
'name': '6,8,11,14,16-Eicosapentaenoic acid, 5-hydroperoxy-18-hydroxy-, (5S,6E,8Z,11Z,14Z,16E,18R)-\n(5S,6E,8Z,11Z,14Z,16E,18R)-5-Hydroperoxy-18-hydroxy-6,8,11,14,16-icosapentaenoic acid\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'BLLVLMYXVKOFGW-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'OLIVGXOVIZTTSI-WJDWOHSUSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'PLGBHVNNYDZWGZ-UVDDTUAWSA-N',
'name': '(5R,6R,14aR,14bR)-3-Ethylidene-6-hydroxy-5,6-dimethyl-3,4,5,6,9,11,13,14,14a,14b-decahydro[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione 12-oxide\n[1,6]Dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione, 3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6-hydroxy-5,6-dimethyl-, 12-oxide, (5R,6R,14aR,14bR)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'XWZCZWKUGIQPJD-JFBCLZDMSA-N',
'name': 'Pyridinium, 1-beta-D-glucopyranuronosyl-3-[(2S)-1-methyl-5-oxo-2-pyrrolidinyl]-\n1-(beta-D-Glucopyranuronosyl)-3-[(2S)-1-methyl-5-oxo-2-pyrrolidinyl]pyridinium\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'DRMGJVPVCAJMDJ-QZPQBVDLSA-N',
'name': '7,17-Cyclosarpagan-17,21-diol, 2,7-dihydro-, 17-acetate, (2beta,7beta,17R,21alpha)-\n(2beta,7beta,17R,19E,21alpha)-21-Hydroxy-2,7-dihydro-7,17-cyclosarpagan-17-yl acetate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'MLVJTFNIARPUAO-UHFFFAOYSA-N',
'name': '1-O-[(2-Oxo-2,3-dihydro-1H-indol-3-yl)acetyl]hexopyranose\nHexopyranose, 1-[2-(2,3-dihydro-2-oxo-1H-indol-3-yl)acetate]\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'CWVRJTMFETXNAD-KWXNVWGOSA-N',
'name': 'Cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-\n(1S,3R,4R,5R)-3-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-1,4,5-trihydroxycyclohexanecarboxylic acid\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'CWVRJTMFETXNAD-PCNKEKKESA-N',
'name': 'Cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-\n(1S,3R,4R,5R)-3-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-1,4,5-trihydroxycyclohexanecarboxylic acid\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'VAOXSMUPPRUEKF-PSXQBOGGSA-N',
'name': '21-Hydroxy-2,7,19,20-tetrahydro-7,17-cyclosarpagan-17-yl acetate\n7,17-Cyclosarpagan-17,21-diol, 2,7,19,20-tetrahydro-, 17-acetate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'UXYPQEDKRALATQ-ZUVMSYQZSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'PQFGZNSCURWXJH-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'VBIRCRCPHNUJAS-XGMIPLPHSA-N',
'name': '4-[4-(1,3-Benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenol\nPhenol, 4-[4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxy-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'PRYGKAJEGXTQNF-UHFFFAOYSA-N',
'name': '2H-Pyrazino[2,1-b]quinazoline-1,3,6(4H)-trione, 4-(1H-indol-3-ylmethyl)-, (4S)-\n(4S)-4-(1H-Indol-3-ylmethyl)-2H-pyrazino[2,1-b]quinazoline-1,3,6(4H)-trione\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'VCJRIJKZDDFALD-AABGKKOBSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'XUVXBQLHPFQADG-KWYOFTMNSA-N',
'name': '(1S,3Z,7E,9S,10S)-9-Hydroxy-10-isopropyl-3,7-dimethyl-3,7-cyclodecadien-1-yl 4-hydroxybenzoate\nBenzoic acid, 4-hydroxy-, (1S,3Z,7E,9S,10S)-9-hydroxy-3,7-dimethyl-10-(1-methylethyl)-3,7-cyclodecadien-1-yl ester\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'WXDSJSLCLHLHSW-UHFFFAOYSA-N',
'name': '(1R,2S,3R)-3-Chloro-1,2,6,7-tetrahydroxy-3-methyl-2,3-dihydro-1H-benzo[a]fluorene-4,11-dione\n1H-Benzo[a]fluorene-4,11-dione, 3-chloro-2,3-dihydro-1,2,6,7-tetrahydroxy-3-methyl-, (1R,2S,3R)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'MHXCIKYXNYCMHY-TVUYYUAGSA-N',
'name': '4-[(2S,3R,4R)-4-(4-Hydroxy-3-methoxybenzyl)-3-(hydroxymethyl)tetrahydro-2-furanyl]-2-methoxyphenol\n3-Furanmethanol, tetrahydro-2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-, (2S,3R,4R)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'OIGNJSKKLXVSLS-KYWYDSBTSA-N',
'name': 'Pregna-1,4-diene-3,20-dione, 11,17,21-trihydroxy-, (9beta,11alpha,17alpha)-\n(9beta,11alpha,17alpha)-11,17,21-Trihydroxypregna-1,4-diene-3,20-dione\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'BYDOCEQRHMZXMS-IUNYYKFTSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'HDGBHYXZLPCUJI-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'IZNICLBEOIJPEL-UHFFFAOYSA-N',
'name': '1-Formyl-3,7-dihydroxy-4a-(hydroxymethyl)-1-methyl-8-methylenegibbane-10-carboxylate\nGibbane-10-carboxylic acid, 1-formyl-3,7-dihydroxy-4a-(hydroxymethyl)-1-methyl-8-methylene-, ion(1-)\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'AFUUQIYPOMVOTN-ATVHPVEESA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'CIJFFKOICMQHCH-SRKZOOFXSA-N',
'name': '1-O-[4-(1H-Indol-3-yl)butanoyl]-beta-L-threo-hexopyranose\nbeta-L-threo-Hexopyranose, 1-[4-(1H-indol-3-yl)butanoate]\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'METQSPRSQINEEU-OIBOXIMKSA-N',
'name': "Spiro[8H-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-8,2'(5'H)-furan]-3,5'(4H)-dione, 1,1a,3',4',5,5a,5b,6,7,7a,8a,9,9a,9b,9c,9d-hexadecahydro-5a,7a-dimethyl-, (1aR,5aR,5bR,7aS,8R,8aS,9aS,9bS,9cR,9dR)-\n(1aR,5aR,5bR,7aS,8R,8aS,9aS,9bS,9cR,9dR)-5a,7a-Dimethyl-1,1a,5,5a,5b,6,7,7a,8a,9,9a,9b,9c,9d-tetradecahydro-3'H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-8,2'-furan]-3,5'(4H,4'H)-dione\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'SRISWFJLVRCABV-UHFFFAOYSA-N',
'name': '(17R,21alpha)-21-Hydroxyajmalan-17-yl acetate\nAjmalan-17,21-diol, 17-acetate, (17R,21alpha)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'DPKLUDKELMJBSE-XNTDXEJSSA-N',
'name': '4,5,6-Trihydroxy-3-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (1E)-N-hydroxy-7-(methylsulfanyl)heptanimidothioate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'YELFBSBOFKWHSL-UHFFFAOYSA-N',
'name': '3-[(2E,4E)-4,6-Dimethyl-2,4-octadienoyl]-1,4-dihydroxy-5-(4-hydroxyphenyl)-2(1H)-pyridinone\n2(1H)-Pyridinone, 3-[(2E,4E)-4,6-dimethyl-1-oxo-2,4-octadien-1-yl]-1,4-dihydroxy-5-(4-hydroxyphenyl)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ZZMNWJVJUKMZJY-XGMIPLPHSA-N',
'name': '5-[(1S,4R)-4-(1,3-Benzodioxol-5-yloxy)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxole\n1,3-Benzodioxole, 5-[(1S,4R)-4-(1,3-benzodioxol-5-yloxy)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'XEDQAKSTEWMQIR-KHPPLWFESA-N',
'name': '9-Nonadecenoic acid, 2-hydroxy-1-(hydroxymethyl)ethyl ester, (9E)-\n1,3-Dihydroxy-2-propanyl (9E)-9-nonadecenoate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ZVXLOXYROPHNQQ-ROUUACIJSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'OJVGWDJIYBTWDS-XGMIPLPHSA-N',
'name': '4-{[4-(1,3-Benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]oxy}-2-methoxyphenol\nPhenol, 4-[[4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]oxy]-2-methoxy-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'IWIISBMWNKBQQH-HFPLEIQESA-N',
'name': '2,4-Pyrrolidinedione, 3-[(2S,4S,6E)-1-hydroxy-2,4-dimethyl-6-octen-1-ylidene]-5-[(S)-hydroxy(4-hydroxyphenyl)methyl]-, (3Z,5R)-\n(3Z,5R)-3-[(2S,4S,6E)-1-Hydroxy-2,4-dimethyl-6-octen-1-ylidene]-5-[(S)-hydroxy(4-hydroxyphenyl)methyl]-2,4-pyrrolidinedione\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'UKFUHWPKKCYCQR-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'SJFXXCHPVOUCOT-UHFFFAOYSA-N',
'name': '(2E,4E,6E,8E,10E,14E)-13-Hydroxy-N-(1-hydroxy-2-propanyl)-2,10,12,14-tetramethyl-2,4,6,8,10,14-hexadecahexaenamide\n2,4,6,8,10,14-Hexadecahexaenamide, 13-hydroxy-N-(2-hydroxy-1-methylethyl)-2,10,12,14-tetramethyl-, (2E,4E,6E,8E,10E,14E)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'VHRSUDSXCMQTMA-DTOSWALXSA-N',
'name': 'Pregna-1,4-diene-3,20-dione, 11,17,21-trihydroxy-6-methyl-, (6alpha,9beta,11alpha,17alpha)-\n(6alpha,9beta,11alpha,17alpha)-11,17,21-Trihydroxy-6-methylpregna-1,4-diene-3,20-dione\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ROQRBGPOJLWCGH-QZTJIDSGSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ROQRBGPOJLWCGH-ROUUACIJSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'QBTJOLCUKWLTIC-BHPYCYGHSA-N',
'name': '(4S,5Z,7E,9E,11R,13Z,15E,17S,19Z)-4,11,17-Trihydroxy-5,7,9,13,15,19-docosahexaenoic acid\n5,7,9,13,15,19-Docosahexaenoic acid, 4,11,17-trihydroxy-, (4S,5Z,7E,9E,11R,13Z,15E,17S,19Z)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'YKPLJNOOLKUEBS-RZCVLQCASA-N',
'name': '(4S,6E,8E,10E,13E,15Z,17S,19Z)-4,5,17-Trihydroxy-6,8,10,13,15,19-docosahexaenoic acid\n6,8,10,13,15,19-Docosahexaenoic acid, 4,5,17-trihydroxy-, (4S,6E,8E,10E,13E,15Z,17S,19Z)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ILXHFGKQZNBINZ-UHFFFAOYSA-N',
'name': '4,5,6-Trihydroxy-3-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (1Z)-4-hydroxy-N-(sulfooxy)butanimidothioate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'JKMXMRTVIHXWDO-SJDJHHIXSA-N',
'name': '(1S,2R,3R,7S,8S,10R,15R,17R)-2,7-Dihydroxy-8,10,17-trimethyl-6,14,18-trioxa-5-azapentacyclo[10.5.2.1~4,7~.0~3,15~.0~15,19~]icosa-4,12(19)-diene-11,13-dione\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'LJMOAYAQYBADNI-QVHMSYDXSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'LSUFAULIQMLCNF-VMVWDEIXSA-N',
'name': '3,12b-Epoxy-12bH-12-oxabenzo[g]cycloocta[cd]pentalene-6,11(1H,7H)-dione, 2,3,4,4a,5,5a,8,9-octahydro-4,10-dihydroxy-5-methoxy-2,7,9-trimethyl-, (2R,3R,4R,4aS,5R,5aS,7S,9R,10Z,12aR,12bS)-\n(1R,2R,3S,4R,5S,7S,9R,10Z,14R,16R,18S)-2,10-Dihydroxy-4-methoxy-7,9,16-trimethyl-13,17-dioxapentacyclo[9.5.2.0~3,14~.0~5,18~.0~14,18~]octadec-10-ene-6,12-dione\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'HSWSVOSUEWPULW-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'JKKCSFJSULZNDN-UHFFFAOYSA-N',
'name': '{[(2,6-Diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl)methoxy]carbonyl}sulfamic acid\nCarbamic acid, N-sulfo-, (2,6-diamino-3a,4,9,10-tetrahydro-10,10-dihydroxy-3H,8H-pyrrolo[1,2-c]purin-4-yl)methyl ester\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'XYOACNDOMQSCCR-AQTBWJFISA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'FIHXCHBEHLCXEG-UHFFFAOYSA-N',
'name': '1-Hydroxy-2-methyl-3-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-4(1H)-quinolinone\n4(1H)-Quinolinone, 1-hydroxy-2-methyl-3-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ZNSLRZHNFFXDSE-UHFFFAOYSA-N',
'name': '2-Methyl-4-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-3-quinolinol 1-oxide\n3-Quinolinol, 2-methyl-4-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-, 1-oxide\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'YROYAGSZNDUMIF-NXVFQZFNSA-N',
'name': '6H,13aH-3a,5a-Ethano-5,11-methano-1H-indolizino[8,1-cd]carbazole-6-carboxylic acid, 2,3,4,5,11,12-hexahydro-5-hydroxy-14-oxo-, methyl ester, (3aR,5S,5aS,10bR,11R,13aS)-\nMethyl 3-hydroxy-22-oxokopsan-1-carboxylate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'HQXAVJAVLMJBRC-MDZDMXLPSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'BXVPZDGOKHWNAM-UHFFFAOYSA-N',
'name': 'beta-D-Glucopyranose, 4-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-2-amino-2-deoxy-\n4-O-(2-Acetamido-2-deoxy-beta-D-glucopyranosyl)-2-amino-2-deoxy-beta-D-glucopyranose\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'GZOKTRMVPWJPHB-LFIBNONCSA-N',
'name': '4,5,6-Trihydroxy-3-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (1E)-N-hydroxy-8-(methylsulfanyl)octanimidothioate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'LYFSZLNQEISTTA-NQYHGMCYSA-N',
'name': '3-({[2-(2-Methoxyphenyl)ethyl]amino}methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one\nNaphtho[2,3-b]furan-2(3H)-one, decahydro-3-[[[2-(2-methoxyphenyl)ethyl]amino]methyl]-8a-methyl-5-methylene-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'DALRIICDQKRRFF-UHFFFAOYSA-N',
'name': '3H-1,4-Diazonino[7,6,5-cd]indol-3-one, 9-(1,1-dimethyl-2-propen-1-yl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-[(1S)-1-methylpropyl]-, (2S,5S)-\n(2S,5S)-2-[(2S)-2-Butanyl]-5-(hydroxymethyl)-1-methyl-9-(2-methyl-3-buten-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'RQZAXGRLVPAYTJ-RYOCMHIPSA-N',
'name': '(9beta,17alpha)-6-Methyl-3,20-dioxopregna-4,6-dien-17-yl acetate\nPregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-methyl-, (9beta,17alpha)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'PKEPPDGGTSZLBL-HRBMGCSQSA-N',
'name': 'Cholesta-7,24-dien-3-ol\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'CGSJXLIKVBJVRY-LVKDPOMLSA-N',
'name': '(3beta,5alpha)-Cholesta-8,24-dien-3-ol\nCholesta-8,24-dien-3-ol, (3beta,5alpha)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'IPNICVXRSDNBDC-UHFFFAOYSA-N',
'name': "({(E)-[(6aR,9aS)-4-Methoxy-11-oxo-3,6a,9a,11-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-1(2H)-ylidene]amino}oxy)acetic acid\nAcetic acid, 2-[[[(1E,6aR,9aS)-3,6a,9a,11-tetrahydro-4-methoxy-11-oxocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1(2H)-ylidene]amino]oxy]-\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'YAVXCDOXVDKQLT-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'DNPSVQYQTPYSPH-VQTJNVASSA-N',
'name': '2H-Pyrazino[2,1-b]quinazoline-3,6(1H,4H)-dione, 4-(1H-indol-3-ylmethyl)-1-(1-methylethyl)-, (1S,4R)-\n(1S,4R)-4-(1H-Indol-3-ylmethyl)-1-isopropyl-2H-pyrazino[2,1-b]quinazoline-3,6(1H,4H)-dione\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'PSGAAPLEWMOORI-BJRKDMOKSA-N',
'name': '(6alpha,9beta,17alpha)-6-Methyl-3,20-dioxopregn-4-en-17-yl acetate\nPregn-4-ene-3,20-dione, 17-(acetyloxy)-6-methyl-, (6alpha,9beta,17alpha)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'IZVFFXVYBHFIHY-HRBMGCSQSA-N',
'name': '(3beta,5alpha)-Cholest-7-en-3-ol\nCholest-7-en-3-ol, (3beta,5alpha)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'JGKXEMYIHDYWCZ-UHFFFAOYSA-N',
'name': '(2R)-2-[(R)-{[(6R)-6-Amino-6-carboxyhexanoyl]amino}(carboxy)methyl]-5-methylene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid\n2H-1,3-Thiazine-2-acetic acid, alpha-[[(6R)-6-amino-6-carboxy-1-oxohexyl]amino]-4-carboxy-5,6-dihydro-5-methylene-, (alphaR,2R)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'QGJPEZISMDKYLK-UHFFFAOYSA-N',
'name': '2,4,6,8,10,14-Heptadecahexaenamide, 13-hydroxy-N-(2-hydroxy-1-methylethyl)-2,10,12,14-tetramethyl-, (2E,4E,6E,8E,10E,14E)-\n(2E,4E,6E,8E,10E,14E)-13-Hydroxy-N-(1-hydroxy-2-propanyl)-2,10,12,14-tetramethyl-2,4,6,8,10,14-heptadecahexaenamide\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'HLXRWTJXGMHOFN-OGMVVHKOSA-N',
'name': 'Cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-5-oxo-, methyl ester, (1S,4aS,7S,7aR)-\nMethyl (1S,4aS,7S,7aR)-1-(beta-D-glucopyranosyloxy)-7-methyl-5-oxo-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'OLJDCWYDXLXFJK-YKAHSWEGSA-N',
'name': '(3Z,7E)-9-Hydroxy-10-isopropyl-3,7-dimethyl-3,7-cyclodecadien-1-yl 4-hydroxy-3-methoxybenzoate\nBenzoic acid, 4-hydroxy-3-methoxy-, (3Z,7E)-9-hydroxy-3,7-dimethyl-10-(1-methylethyl)-3,7-cyclodecadien-1-yl ester\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'UIKYAUSFWRLFDK-UHFFFAOYSA-N',
'name': "Propanoic acid, 2-methyl-, (1aS,10R,10aS)-1a,9,10,10a-tetrahydro-4,5-dihydroxy-1a-methyl-2,9-dioxo-2H-indeno[1',2':7,8]naphth[2,3-b]oxiren-10-yl ester\n(1aS,10R,10aS)-4,5-Dihydroxy-1a-methyl-2,9-dioxo-2,9,10,10a-tetrahydro-1aH-indeno[1',2':7,8]naphtho[2,3-b]oxiren-10-yl 2-methylpropanoate\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'GFNANZIMVAIWHM-BHOVCMIXSA-N',
'name': '(9beta,11alpha,16alpha,17alpha)-9-Fluoro-11,16,17,21-tetrahydroxypregna-1,4-diene-3,20-dione\nPregna-1,4-diene-3,20-dione, 9-fluoro-11,16,17,21-tetrahydroxy-, (9beta,11alpha,16alpha,17alpha)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ALRRPAKWGUBPBK-UHFFFAOYSA-N',
'name': 'Carbamic acid, N-sulfo-, (octahydro-5,10,10-trihydroxy-2,6-diimino-1H,8H-pyrrolo[1,2-c]purin-4-yl)methyl ester\n{[(5,10,10-Trihydroxy-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl)methoxy]carbonyl}sulfamic acid\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'CHMBGHGLJJOOSO-UHFFFAOYSA-N',
'name': '4(1H)-Quinolinone, 1-hydroxy-3-[(2E,6E)-9-hydroxy-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-2-methyl-\n1-Hydroxy-3-[(2E,6E)-9-hydroxy-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-2-methyl-4(1H)-quinolinone\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ZWZDPCODGBCKJZ-UHFFFAOYSA-N',
'name': 'Propanoic acid, 2-methyl-, (1R,2R,3R)-2,3,4,11-tetrahydro-2,6,7-trihydroxy-3-methyl-4,11-dioxo-1H-benzo[a]fluoren-1-yl ester\n(1R,2R,3R)-2,6,7-Trihydroxy-3-methyl-4,11-dioxo-2,3,4,11-tetrahydro-1H-benzo[a]fluoren-1-yl 2-methylpropanoate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'VBNWAWCGTCKMJY-VOTSOKGWSA-N',
'name': '10,13-Dimethyl-17-[(4E)-7-methyl-4,7-octadien-2-yl]-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'DBPZYKHQDWKORQ-RJBGAFQBSA-N',
'name': '(4alpha,5alpha)-4-Methylcholesta-8,24-dien-3-one\nCholesta-8,24-dien-3-one, 4-methyl-, (4alpha,5alpha)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ZEPNVCGPJXYABB-BMQWLIDPSA-N',
'name': 'Ergosta-5,7,24(28)-trien-3-ol, (3beta)-\n(3beta)-Ergosta-5,7,24(28)-trien-3-ol\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ZEPNVCGPJXYABB-LSYBVYQNSA-N',
'name': '(3beta)-Ergosta-5,7,24(28)-trien-3-ol\nErgosta-5,7,24(28)-trien-3-ol, (3beta)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'XSLDIFFYKBQCGW-VFNNOXKTSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'SLQKYSPHBZMASJ-XFNQKOMCSA-N',
'name': '(3beta,5alpha)-Ergosta-8,24(28)-dien-3-ol\nErgosta-8,24(28)-dien-3-ol, (3beta,5alpha)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'FOUJWBXBKVVHCJ-LQTHDRHKSA-N',
'name': '4-Methylcholesta-8,24-dien-3-ol\nCholesta-8,24-dien-3-ol, 4-methyl-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'BTCAEOLDEYPGGE-QAOLLUFFSA-N',
'name': '(3beta,5alpha)-Ergosta-7,24(28)-dien-3-ol\nErgosta-7,24(28)-dien-3-ol, (3beta,5alpha)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'SGNBVLSWZMBQTH-GSQJTNLTSA-N',
'name': 'Ergost-5-en-3-ol, (3beta,24R)-\n(3beta,24R)-Ergost-5-en-3-ol\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'KDQXYCUSOMGQMS-UHFFFAOYSA-N',
'name': "Acetic acid, 2-[[[(1E,6aR,9aR)-3,6a,9a,11-tetrahydro-9a-hydroxy-4-methoxy-11-oxocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1(2H)-ylidene]amino]oxy]-\n({(E)-[(6aR,9aR)-9a-Hydroxy-4-methoxy-11-oxo-3,6a,9a,11-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-1(2H)-ylidene]amino}oxy)acetic acid\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'QQZJCNSHAVQKIC-UHFFFAOYSA-N',
'name': '(2E,4E,6Z,8E,10E,12R,13R,14E)-13-Hydroxy-N-[(2S)-1-hydroxy-2-propanyl]-2,10,12,14,16-pentamethyl-2,4,6,8,10,14-heptadecahexaenamide\n2,4,6,8,10,14-Heptadecahexaenamide, 13-hydroxy-N-[(1S)-2-hydroxy-1-methylethyl]-2,10,12,14,16-pentamethyl-, (2E,4E,6Z,8E,10E,12R,13R,14E)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'WSHOUFADAFHVKN-PDBDJCPPSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'NJMQSVWMCODQIP-OPKROOQVSA-N',
'name': 'Benzyl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside\nbeta-D-Glucopyranoside, phenylmethyl 6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'GDVDMDWPLBZFOX-GUTXKFCHSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'FBOIBFWCHWNBOE-UHFFFAOYSA-N',
'name': 'Naphtho[1,2-b]furan-6,9-dione, 3-[(3E)-1,5-dihydroxy-4-methyl-3-penten-1-yl]-2,3-dihydro-4-hydroxy-7-methoxy-2,3,8-trimethyl-\n3-[(3E)-1,5-Dihydroxy-4-methyl-3-penten-1-yl]-4-hydroxy-7-methoxy-2,3,8-trimethyl-2,3-dihydronaphtho[1,2-b]furan-6,9-dione\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ITRJWOMZKQRYTA-GMNINMNUSA-N',
'name': '(9beta,17alpha)-17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl acetate\nPregn-4-ene-3,11,20-trione, 21-(acetyloxy)-17-hydroxy-, (9beta,17alpha)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'JLSVDPQAIKFBTO-JMZHKIFESA-N',
'name': '2,5-Anhydro-1,6-dideoxy-2-[(1E,3E,5E,7E)-8-(4-methoxy-5-methyl-2-oxo-2H-pyran-6-yl)-2-methyl-1,3,5,7-octatetraen-1-yl]-4-C-methylhexitol\nHept-5-enitol, 1,4-anhydro-5,6,7-trideoxy-6-[(1E,3E,5E)-6-(4-methoxy-5-methyl-2-oxo-2H-pyran-6-yl)-1,3,5-hexatrien-1-yl]-1,2,4-tri-C-methyl-, (5E)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'UTGBBPSEQPITLF-URCDZZQSSA-N',
'name': '1(3aH)-Cyclopentacyclopentadecenone, 4,7,8,9,12,13,16,16a-octahydro-2,7-dihydroxy-3-[(1S)-2-hydroxy-1-methylethyl]-6,10,14,16a-tetramethyl-, (3aR,5E,7S,10E,14E,16aS)-\n(3aR,5E,7S,10E,14E,16aS)-2,7-Dihydroxy-3-[(2S)-1-hydroxy-2-propanyl]-6,10,14,16a-tetramethyl-4,7,8,9,12,13,16,16a-octahydrocyclopenta[15]annulen-1(3aH)-one\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'SWJBYJXTNZNTIR-MRGAAEDTSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'GGNGEESEARSAMF-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'CQZZUPSXBXLXRM-UHFFFAOYSA-N',
'name': '6H-Imidazo[4,5,1-ij]quinoline-2,6(1H)-dione, 4-methyl-5-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-\n4-Methyl-5-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-6H-imidazo[4,5,1-ij]quinoline-2,6(1H)-dione\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'PCZOHLXUXFIOCF-KMAFYUSPSA-N',
'name': '(1R,3R,7S,8R,8aR)-8-{2-[(2R,4R)-4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-1-naphthalenyl (2S)-2-methylbutanoate\nButanoic acid, 2-methyl-, (1R,3R,7S,8R,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester, (2S)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'WVILKFILAZPSRT-MEAUJJKLSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'CGYNVHQAIUIQLZ-OVGYQCSBSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'FUNKMUPZVKBZEC-MEAUJJKLSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'CDXQFXHOBINAQR-UHFFFAOYSA-N',
'name': '4,5,6-Trihydroxy-3-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (1E)-4-(methylsulfanyl)-N-(sulfooxy)butanimidothioate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'OAIXARWNIYCAGK-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ILZBYZQNJIYYNP-UHFFFAOYSA-N',
'name': "Butanoic acid, 2-methyl-, (1aS,10R,10aS)-1a,9,10,10a-tetrahydro-4,5-dihydroxy-1a-methyl-2,9-dioxo-2H-indeno[1',2':7,8]naphth[2,3-b]oxiren-10-yl ester\n(1aS,10R,10aS)-4,5-Dihydroxy-1a-methyl-2,9-dioxo-2,9,10,10a-tetrahydro-1aH-indeno[1',2':7,8]naphtho[2,3-b]oxiren-10-yl 2-methylbutanoate\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'FPUXKXIZEIDQKW-VTPWKYHPSA-N',
'name': "(1R,3R,7S,8S,10R,11S,13S,16S,17R)-6,17-Dihydroxy-16-methyl-8-(2-methyl-2-propanyl)-2,4,14,19-tetraoxahexacyclo[8.7.2.0~1,11~.0~3,7~.0~7,11~.0~13,17~]nonadecane-5,15,18-trione\n6H-9,4a-(Epoxymethano)-3aH,9H-cyclopenta[c]furo[2,3-b]furo[3',2':3,4]cyclopenta[1,2-d]furan-2,6,13(1H)-trione, 11-(1,1-dimethylethyl)hexahydro-1,4b-dihydroxy-5-methyl-, (3aR,4aR,4bR,5S,7aS,8aS,9R,11S,11aS)-\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'YXNFWYUMRBFXJO-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'KFJNVVJUICKJEQ-AUSUGGJXSA-N',
'name': '2H-Pyran-2-one, 6-[2-(D-glucopyranosyloxy)-4-hydroxy-6-methylphenyl]-4-methoxy-\n5-Hydroxy-2-(4-methoxy-2-oxo-2H-pyran-6-yl)-3-methylphenyl D-glucopyranoside\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'JFVKWCYZKMUTLH-JRAJRYKFSA-N',
'name': "(2R,6aR,12aR)-6a-Hydroxy-2-isopropenyl-8,9-dimethoxy-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one\nFuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-6a-hydroxy-8,9-dimethoxy-2-(1-methylethenyl)-, (2R,6aR,12aR)-\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'LFQXEZVYNCBVDO-HSXDXYGFSA-N',
'name': '(3beta,5alpha)-4,4-Dimethylcholesta-8,14,24-trien-3-ol\nCholesta-8,14,24-trien-3-ol, 4,4-dimethyl-, (3beta,5alpha)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'SEXOMBPXHYAKHY-MMTIAZJRSA-N',
'name': 'Dammara-20,24-diene\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'YYGNTYWPHWGJRM-FZSSMNSJSA-N',
'name': '2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (6E,10E,14E,18E)-\n(6E,10E,14E,18E)-2,6,10,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaene\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'XZRJSQZEIIRBCI-CMDGGOBGSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'SCLQHBRYNQYXBX-UHFFFAOYSA-N',
'name': '5H-Benzo[b]carbazole-5-carbonitrile, 4-(acetyloxy)-1,2,3,4,6,11-hexahydro-1,2,3,7-tetrahydroxy-3-methyl-6,11-dioxo-, (1S,2R,3R,4R)-\n(1S,2R,3R,4R)-5-Cyano-1,2,3,7-tetrahydroxy-3-methyl-6,11-dioxo-2,3,4,5,6,11-hexahydro-1H-benzo[b]carbazol-4-yl acetate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'WOYVFPKWBXOLFX-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ZLQSSFNCEUGGJF-GYISYUOESA-N',
'name': '3-Hydroxycholesta-8,24-diene-4-carbaldehyde\nCholesta-8,24-diene-4-carboxaldehyde, 3-hydroxy-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'RSMKYRDCCSNYFM-XPUCBGRUSA-N',
'name': 'Ergosta-7,24(28)-dien-3-ol, 4-methyl-\n4-Methylergosta-7,24(28)-dien-3-ol\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'CHGIKSSZNBCNDW-AMRBTYEWSA-N',
'name': 'Cholesta-8,24-dien-3-ol, 4,4-dimethyl-, (3beta,5alpha)-\n(3beta,5alpha)-4,4-Dimethylcholesta-8,24-dien-3-ol\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'QLDNWJOJCDIMKK-GITNYVSYSA-N',
'name': 'Ergosta-8,24(28)-dien-3-ol, 4-methyl-, (3beta,4alpha,5alpha)-\n(3beta,4alpha,5alpha)-4-Methylergosta-8,24(28)-dien-3-ol\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'IJTLGIJZVIDUPS-HMWWLYAWSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'OUGBMVAQMSBUQH-WWMANJIZSA-N',
'name': 'alpha-L-Arabinofuranosyl-(1->5)-alpha-L-arabinofuranosyl-(1->5)-alpha-L-arabinofuranose\nalpha-L-Arabinofuranose, O-alpha-L-arabinofuranosyl-(1->5)-O-alpha-L-arabinofuranosyl-(1->5)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'JUKPWJGBANNWMW-RZVCPIHASA-N',
'name': "Methyl (4aS,4bS,5aS,6aS,7S,9aS,9bR,10R)-4a,6a-dimethyl-2,5'-dioxo-2,4,4',4a,5',5a,6,6a,8,9,9a,9b,10,11-tetradecahydro-3H,3'H-spiro[cyclopenta[7,8]phenanthro[4b,5-b]oxirene-7,2'-furan]-10-carboxylate\nSpiro[cyclopenta[7,8]phenanthro[4b,5-b]oxirene-7(3H),2'(3'H)-furan]-10-carboxylic acid, 2,4,4',4a,5',5a,6,6a,8,9,9a,9b,10,11-tetradecahydro-4a,6a-dimethyl-2,5'-dioxo-, methyl ester, (4aS,4bS,5aS,6aS,7S,9aS,9bR,10R)-\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'YBLHASCZKLAOQF-UHFFFAOYSA-N',
'name': '17-(5-Hydroxy-7-methyl-7-octen-2-yl)-10,13-dimethyl-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'VEQLCAQNWTZKGV-ZBKNUEDVSA-N',
'name': '17-[(5Z)-6-(Hydroxymethyl)-5-octen-2-yl]-10,13-dimethyl-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'DCGXZSOJJWIIDW-DYFRMJEVSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'WBGKWQHBNHJJPZ-MOEWUHMFSA-N',
'name': "2H-Naphth[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one, 4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-5-hydroxy-6b-(2-hydroxyacetyl)-4a,6a,8,8-tetramethyl-, (4aR,4bR,5R,6aS,6bR,9aR,10aS,10bS)-\n(4aR,4bR,5R,6aS,6bR,9aR,10aS,10bS)-6b-Glycoloyl-5-hydroxy-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'HDACQVRGBOVJII-AEEMCCEDSA-N',
'name': '(2S,3aS,6aS)-1-[(2S)-2-{[(2S)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]amino}propanoyl]octahydrocyclopenta[b]pyrrole-2-carboxylic acid\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'HXYASMGHIVHQEN-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'OHWILISHWFHITP-DVRJAZNUSA-N',
'name': 'Methyl (2Z,3E,5E,7E,9E)-2-ethylidene-11-[4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo[3.1.0]hex-1-yl]-4,10-dimethyl-11-oxo-3,5,7,9-undecatetraenoate\n3,5,7,9-Undecatetraenoic acid, 2-ethylidene-11-[4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo[3.1.0]hex-1-yl]-4,10-dimethyl-11-oxo-, methyl ester, (2Z,3E,5E,7E,9E)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'JEXKSGKPLHRGPO-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'XQWFHGOIUZFQPJ-HSFGCLRNSA-N',
'name': '3-Hydroxy-4-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]phenyl beta-D-allopyranoside\n2-Propen-1-one, 1-[4-(beta-D-allopyranosyloxy)-2-hydroxyphenyl]-3-(4-hydroxyphenyl)-, (2E)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'GFZFPOPHUIWSNQ-CVHJKCGHSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'RYMZZMVNJRMUDD-XOWITSDISA-N',
'name': 'Butanoic acid, 2,2-dimethyl-, (1R,3R,7S,8R,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester\n(1R,3R,7S,8R,8aR)-8-{2-[(2R,4R)-4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-1-naphthalenyl 2,2-dimethylbutanoate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'IVRBEBQPYZRPLG-YGDFVYMXSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'UNFGCPCUYMXWDG-OOQPEQBFSA-N',
'name': '[(1S,3R,7Z,9R,12S,13R)-13-sec-Butyl-13-hydroxy-3,12-dimethyl-4,11-dioxo-10,14,16-trioxatetracyclo[7.5.1.1~3,6~.0~12,15~]hexadeca-5,7-dien-7-yl]methyl acetate\n6,9-Epoxy-2H-1,4-dioxacyclodeca[cd]pentalene-2,7(6H)-dione, 10-[(acetyloxy)methyl]-2a,3,4a,5,11a,11b-hexahydro-3-hydroxy-2a,6-dimethyl-3-(1-methylpropyl)-, (2aS,3R,4aS,6R,10Z,11aR)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'WSTYNZDAOAEEKG-JCNSEWGNSA-N',
'name': '2,10(6bH,9H)-Picenedione, 7,8,8a,11,12,12a,12b,13,14,14a-decahydro-3-hydroxy-4,6b,8a,11,12b,14a-hexamethyl-, (6bS,8aS,11R,12aR,12bS,14aR)-\n(6bS,8aS,11R,12aR,12bS,14aR)-3-Hydroxy-4,6b,8a,11,12b,14a-hexamethyl-7,8,8a,11,12,12a,12b,13,14,14a-decahydro-2,10(6bH,9H)-picenedione\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ANGKCYLBHBLXFP-UHFFFAOYSA-N',
'name': "2,6-Heptadienoic acid, 7-[4',5'-dihydro-2'-(1-methylethenyl)[2,4'-bithiazol]-4-yl]-3,5-dimethoxy-4-methyl-, methyl ester, (2E,4R,5S,6E)-\nMethyl (2E,4R,5S,6E)-7-(2'-isopropenyl-4',5'-dihydro-2,4'-bi-1,3-thiazol-4-yl)-3,5-dimethoxy-4-methyl-2,6-heptadienoate\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'BUJILYZAKYQVCV-OVOOIQHOSA-N',
'name': 'Methyl (3R,5R)-3,5-dihydroxy-7-[(1S,2S,8S,8aR)-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydro-1-naphthalenyl]heptanoate\n1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-beta,delta-dihydroxy-2-methyl-8-[(2S)-2-methyl-1-oxobutoxy]-, methyl ester, (betaR,deltaR,1S,2S,8S,8aR)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ALYLZDHKQZUVDF-UHFFFAOYSA-N',
'name': '(3E,5E,7E,11Z,13E,15E,17E)-20-[(2E)-2-Hexen-1-yl]-9,10-dihydroxy-7,15-dimethylazacycloicosa-3,5,7,11,13,15,17-heptaen-2-one\nAzacycloeicosa-3,5,7,11,13,15,17-heptaen-2-one, 20-[(2E)-2-hexen-1-yl]-9,10-dihydroxy-7,15-dimethyl-, (3E,5E,7E,11Z,13E,15E,17E)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ZUKZUVCEHJTXBB-UHFFFAOYSA-N',
'name': '2,4-Pyrrolidinedione, 3-[(3S,5R)-1-amino-3-methyl-5-[(4E)-2-methyl-4-tetradecene-6,8-diyn-1-yl]-2-pyrrolidinylidene]-1,5-dimethyl-, (3E)-\n(3E)-3-{(3S,5R)-1-Amino-3-methyl-5-[(4E)-2-methyl-4-tetradecene-6,8-diyn-1-yl]-2-pyrrolidinylidene}-1,5-dimethyl-2,4-pyrrolidinedione\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'VNBRFEUEYRHQBM-XXWDTJAXSA-N',
'name': '3-{(1S,2R,3R)-6-Isopropylidene-2,3-dimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]cyclohexyl}propanal\nCyclohexanepropanal, 2,3-dimethyl-6-(1-methylethylidene)-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-, (1S,2R,3R)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'LPZCCMIISIBREI-VMZJTLAQSA-N',
'name': '(3beta,4alpha,5alpha,24Z)-4-Methylstigmasta-7,24(28)-dien-3-ol\nStigmasta-7,24(28)-dien-3-ol, 4-methyl-, (3beta,4alpha,5alpha,24Z)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'CAHGCLMLTWQZNJ-BMJQUABISA-N',
'name': 'Lanosta-8,24-dien-3-ol, (3beta)-\n(3beta)-Lanosta-8,24-dien-3-ol\n(3beta,20R)-Lanosta-8,24-dien-3-ol\nlanosta-8,24-dien-3-ol, (3beta,20R)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ONQRKEUAIJMULO-SBAQNCMESA-N',
'name': '(3beta,9beta)-9,19-Cyclolanost-24-en-3-ol\n9,19-Cyclolanost-24-en-3-ol, (3beta,9beta)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'VTCHHTCQMAFJHP-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'XXGBTWBCSQCNMH-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'YABASAWVVRQMEU-SBAQNCMESA-N',
'name': '9,19-Cyclolanostan-3-ol, (3beta,9beta)-\n(3beta,9beta)-9,19-Cyclolanostan-3-ol\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'PTKGTYKMTXCJOK-UHFFFAOYSA-N',
'name': '2,3-Dimethoxy-6-[(2E,5E,7E,9R,10R,11E)-10-methoxy-3,7,9,11-tetramethyl-2,5,7,11-tridecatetraen-1-yl]-5-methyl-4(1H)-pyridinone\n4(1H)-Pyridinone, 2,3-dimethoxy-6-[(2E,5E,7E,9R,10R,11E)-10-methoxy-3,7,9,11-tetramethyl-2,5,7,11-tridecatetraen-1-yl]-5-methyl-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'VOVIALXJUBGFJZ-XPZXLBDFSA-N',
'name': "(4aR,4bR,5R,6aS,6bR,8R,9aR,10aS,10bS)-6b-Glycoloyl-5-hydroxy-4a,6a-dimethyl-8-propyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one\n2H-Naphth[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one, 4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-5-hydroxy-6b-(2-hydroxyacetyl)-4a,6a-dimethyl-8-propyl-, (4aR,4bR,5R,6aS,6bR,8R,9aR,10aS,10bS)-\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'YCWBTRJVYADFLQ-DMVVYWCZSA-N',
'name': '8H,10H-7a,12a-(Iminomethano)indolizino[6,7-h]pyrano[3,2-a]carbazole-8,16-dione, 3,7,11,12,13,13a,14,15-octahydro-3,3,14,14-tetramethyl-, (7aS,12aS,13aR)-\n(1S,17R,19S)-9,9,16,16-Tetramethyl-8-oxa-14,23,25-triazaheptacyclo[17.5.2.0~1,17~.0~3,15~.0~4,13~.0~7,12~.0~19,23~]hexacosa-3(15),4,6,10,12-pentaene-24,26-dione\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'SGEWCQFRYRRZDC-YJQKKJGLSA-N',
'name': 'D-Glucitol, 1,5-anhydro-1-C-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]-, (1S)-\n(1S)-1,5-Anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-D-glucitol\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'MEHCTOVFPFJFEW-MKJMBMEGSA-N',
'name': '3(2H)-Benzofuranone, 2-[(3,4-dihydroxyphenyl)methylene]-6-(beta-D-glucopyranosyloxy)-, (2Z)-\n(2Z)-2-(3,4-Dihydroxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl beta-D-glucopyranoside\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'VLKRTIYDCRKNTE-UHFFFAOYSA-N',
'name': '(16S,21R)-21-Hydroxy-16-(hydroxymethyl)-12,13-dimethoxy-20-methyl-5-oxa-8,17,20-triazahexacyclo[15.3.1.0~3,19~.0~4,8~.0~9,18~.0~10,15~]henicosa-10(15),12-diene-11,14-dione\n4,6-Methano-5H-benz[h]oxazolo[3,2-a]pyrazino[3,2,1-de][1,5]naphthyridine-10,13-dione, 1,2,3a,4,4a,6,7,9,13b,13c-decahydro-7-hydroxy-9-(hydroxymethyl)-11,12-dimethoxy-5-methyl-, (7R,9S)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'FPHRKFJYHKRDFJ-UHFFFAOYSA-N',
'name': '5-({(2S)-2-[(2R)-2-Carboxy-2-hydroxy-5-oxo-1-pyrrolidinyl]propanoyl}amino)-2-hydroxy-1,2,3-pentanetricarboxylic acid\nPentaric acid, 3-C-carboxy-2-[2-[[(2S)-2-[(2R)-2-carboxy-2-hydroxy-5-oxo-1-pyrrolidinyl]-1-oxopropyl]amino]ethyl]-2,4-dideoxy-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'QMVODIKHHIRSGI-LECZFJLDSA-N',
'name': '4-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]-3-hydroxyphenyl hexopyranoside\n2-Propen-1-one, 3-(3,4-dihydroxyphenyl)-1-[4-(hexopyranosyloxy)-2-hydroxyphenyl]-, (2E)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ZYUSTWOCCKABCY-QNLFZRGVSA-N',
'name': '3,5-Dihydroxy-4-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]phenyl hexopyranoside\n2-Propen-1-one, 1-[4-(hexopyranosyloxy)-2,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-, (2E)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'JNLNEIIZZQABDP-GYXAJMFLSA-N',
'name': '(1aR,5R,7S,10aS,10bR)-8-(Acetoxymethyl)-1a,5-dimethyl-4,9-dioxo-1a,2,3,4,5,6,7,9,10a,10b-decahydrooxireno[9,10]cyclodeca[1,2-b]furan-5,7-diyl diacetate\nOxireno[9,10]cyclodeca[1,2-b]furan-4,9(1aH,5H)-dione, 5,7-bis(acetyloxy)-8-[(acetyloxy)methyl]-2,3,6,7,10a,10b-hexahydro-1a,5-dimethyl-, (1aR,5R,7S,10aS,10bR)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'GUPGUXXLWQPORV-NCELDCMTSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'BDHQMRXFDYJGII-RNMPMOLGSA-N',
'name': '(3beta,9beta)-24-Methylene-9,19-cyclolanostan-3-ol\n9,19-Cyclolanostan-3-ol, 24-methylene-, (3beta,9beta)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'NWPHOPMRDKFXFP-UHFFFAOYSA-N',
'name': '(1xi)-1,5-Anhydro-2,3,6-trideoxy-3-(dimethylamino)-1-[(3aR,5R,11bR)-5-methyl-2,6,11-trioxo-3,3a,5,6,11,11b-hexahydro-2H-benzo[g]furo[3,2-c]isochromen-8-yl]-D-arabino-hexitol\nD-arabino-Hexitol, 1,5-anhydro-2,3,6-trideoxy-3-(dimethylamino)-1-C-[(3aR,5R,11bR)-3,3a,5,6,11,11b-hexahydro-5-methyl-2,6,11-trioxo-2H-furo[3,2-b]naphtho[2,3-d]pyran-8-yl]-, (1xi)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'FBHSPRKOSMHSIF-XSJWMLFPSA-N',
'name': "2-[(4aR,4bR,5R,6aS,6bR,9aR,10aS,10bS)-5-Hydroxy-4a,6a,8-trimethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-6b-yl]-2-oxoethyl acetate\n2H-Naphth[2',1':4,5]indeno[1,2-d]oxazol-2-one, 6b-[2-(acetyloxy)acetyl]-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-5-hydroxy-4a,6a,8-trimethyl-, (4aR,4bR,5R,6aS,6bR,9aR,10aS,10bS)-\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'SDQGXNQDYJJFFE-HZOASODYSA-N',
'name': '3,6,9-Trimethyl-3-[(3-methyl-2-butenoyl)oxy]-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-4-yl 2-methyl-2-butenoate\n2-Butenoic acid, 2-methyl-, 2,3,3a,4,5,7,9a,9b-octahydro-3,6,9-trimethyl-3-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-2,7-dioxoazuleno[4,5-b]furan-4-yl ester\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'WUKYEOQJBJKFPH-FWHMDRLRSA-N',
'name': '(1S,2S,5R,6S,9S,11R,13S,15S,16S,17S,19R,21S)-6,21-Dimethyl-21-(4-methyl-3-methylenepentyl)-14,18,20-trioxaheptacyclo[15.4.1.0~2,16~.0~2,19~.0~5,15~.0~6,11~.0~13,15~]docosan-9-ol\n1,5-Methano-3aH,9H-furo[2,3-b]oxireno[10,10a]phenanthro[2,1-c]furan-9-ol, tetradecahydro-2,11a-dimethyl-2-(4-methyl-3-methylenepentyl)-, (1S,2S,3aR,5S,5aS,5bS,6aS,7aR,9S,11aS,11bR,13aS)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'DWVYYKFZEDMMPU-XQVXCQOBSA-N',
'name': 'Lanosta-8,24-diene-3,30-diol\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'XKBBRFAPWMBHPG-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'VRGWBRLULZUWAJ-RNYGSYHYSA-N',
'name': '1(3aH)-Cyclopentacyclopentadecenone, 3-[(1S)-2-(acetyloxy)-1-methylethyl]-4,7,8,9,12,13,16,16a-octahydro-2,7-dihydroxy-6,10,14,16a-tetramethyl-, (3aR,5E,7S,10E,14E,16aS)-\n(2S)-2-[(3aS,5E,9E,13S,14E,16aR)-2,13-Dihydroxy-3a,6,10,14-tetramethyl-3-oxo-3,3a,4,7,8,11,12,13,16,16a-decahydrocyclopenta[15]annulen-1-yl]propyl acetate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'IKIIZLYTISPENI-FBYGNRARSA-N',
'name': '4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranuronosyloxy)-5,6-dihydroxy-2-phenyl-\n5,6-Dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'BKNDRWLBSMZASB-ULLBJXGESA-N',
'name': '8H,10H-7a,12a-(Iminomethano)indolizino[6,7-h]pyrano[3,2-a]carbazole-8,16-dione, 3,7,11,12,13,13a,14,15-octahydro-7-hydroxy-3,3,14,14-tetramethyl-, (7S,7aR,12aS,13aS)-\n(1R,2S,17S,19S)-2-Hydroxy-9,9,16,16-tetramethyl-8-oxa-14,23,25-triazaheptacyclo[17.5.2.0~1,17~.0~3,15~.0~4,13~.0~7,12~.0~19,23~]hexacosa-3(15),4,6,10,12-pentaene-24,26-dione\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'RNWRZMCJFWSZOX-KXVOEVAJSA-N',
'name': "(1S,3S,5R,7S)-4,4,7',7'-Tetramethyl-1',7'-dihydro-2'H,13H-spiro[9,14-diazatetracyclo[5.5.2.0~1,9~.0~3,7~]tetradecane-5,3'-pyrano[2,3-g]indole]-2',8,13-trione\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'PLAPMLGJVGLZOV-YJQKKJGLSA-N',
'name': 'D-Glucitol, 1,5-anhydro-1-C-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-8-yl]-, (1S)-\n(1S)-1,5-Anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-8-yl]-D-glucitol\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'BNTNYBKILFIONV-AZALZGTJSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'UBHHSYDUIRPBFL-HRXKZUQBSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'OKNPZRJNRSGKME-UVJJMZAFSA-N',
'name': '(3R)-3,7-Dimethyl-1,6-octadien-3-yl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside\nbeta-D-Glucopyranoside, (1R)-1-ethenyl-1,5-dimethyl-4-hexen-1-yl 6-O-alpha-L-arabinopyranosyl-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ANHWBEMAUJKCQI-UHFFFAOYSA-N',
'name': '4,5,6-Trihydroxy-3-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (1E)-7-(methylsulfanyl)-N-(sulfooxy)heptanimidothioate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'GZTXEEPKLNRIEL-MDAJMBCOSA-N',
'name': '4-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]-3,5-dihydroxyphenyl beta-D-glucopyranoside\n2-Propen-1-one, 3-(3,4-dihydroxyphenyl)-1-[4-(beta-D-glucopyranosyloxy)-2,6-dihydroxyphenyl]-, (2E)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'DSOWUEHXZJUNID-FPLPWBNLSA-N',
'name': '(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl (9Z)-9-hexadecenoate\n9-Hexadecenoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-hydroxypropyl ester, (9Z)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'FEBLZLNTKCEFIT-FWFSREQTSA-N',
'name': "2H-Naphth[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one, 4b,12-difluoro-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-5-hydroxy-6b-(2-hydroxyacetyl)-4a,6a,8,8-tetramethyl-, (4aS,4bS,5R,6aS,6bR,9aR,10aS,10bS,12S)-\n(4aS,4bS,5R,6aS,6bR,9aR,10aS,10bS,12S)-4b,12-Difluoro-6b-glycoloyl-5-hydroxy-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'OVRAJPVCMXSZJC-UHFFFAOYSA-N',
'name': 'alpha-D-arabino-Hexopyranoside, (1R,2S,3S,4R,6S)-4,6-diamino-3-[(3-amino-3-deoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 2,6-dideoxy-\n(1R,2S,3S,4R,6S)-4,6-Diamino-3-[(3-amino-3-deoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 2,6-dideoxy-alpha-D-arabino-hexopyranoside\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'UNLXWTBROHQLDM-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'QKUUVGNHUMKUAN-UHFFFAOYSA-N',
'name': "1-[(2R,6S,14S,22S,25R)-25-(3,3-Dimethyl-2-oxiranyl)-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.0~2,6~.0~6,22~.0~7,12~.0~14,22~.0~16,21~]pentacosa-7,9,11,16,18,20-hexaen-3-yl]ethanone\nEthanone, 1-[(3aS,8aS,13bS,16aR,17R)-17-(3,3-dimethyloxiranyl)-2,3,8a,9,14,15-hexahydro-9-methyl-13,16-methano-1H,8H-pyrrolo[2',3':2,3]pyrido[4,3-o]quinindolin-1(16aH)-yl]-\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'JUUOWVIBIPDOSQ-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'UGNRFJOMRFTXSQ-UHFFFAOYSA-N',
'name': '2-Hexenamide, 6,6,6-trichloro-3-methoxy-N,5-dimethyl-N-[(1S)-2-phenyl-1-(2-thiazolyl)ethyl]-, (2E,5S)-\n(2E,5S)-6,6,6-Trichloro-3-methoxy-N,5-dimethyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]-2-hexenamide\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'WUZAONONDREMBU-FFSRJTDBSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'BAPAFFOXTCMVCC-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'CFJMAERFDLWMJL-YZBCKTNQSA-N',
'name': "(1S,3S,5R,6S,7R)-6-Hydroxy-4,4,7',7'-tetramethyl-1',7'-dihydro-2'H,13H-spiro[9,14-diazatetracyclo[5.5.2.0~1,9~.0~3,7~]tetradecane-5,3'-pyrano[2,3-g]indole]-2',8,13-trione\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'XENHPQQLDPAYIJ-KKUOEXSZSA-N',
'name': 'beta-D-Glucopyranoside, 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium-3-yl\n5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-chromeniumyl beta-D-glucopyranoside\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'SFXSFWVZPKEDPA-UHFFFAOYSA-N',
'name': '3(2H)-Benzofuranone, 6-(beta-D-glucopyranosyloxy)-4-hydroxy-2-[(3,4,5-trihydroxyphenyl)methylene]-, (2Z)-\n(2Z)-4-Hydroxy-3-oxo-2-(3,4,5-trihydroxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl beta-D-glucopyranoside\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'MVIJSQNWYLPBGP-CMBGVUEGSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ADSYMQORONDIDD-MKCLPYIWSA-N',
'name': '(2S)-5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl beta-D-glucopyranoside\n4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (2S)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'BNZZZUQOYBAEPR-VNSGFCDMSA-N',
'name': '4,5-Dihydroxy-6-[(E)-2-(5-isopropenyl-2-methyltetrahydro-2-furanyl)vinyl]-3-methoxy-4-(4-methoxyphenyl)-3,4-dihydro-2(1H)-quinolinone\n2(1H)-Quinolinone, 3,4-dihydro-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-6-[(E)-2-[tetrahydro-2-methyl-5-(1-methylethenyl)-2-furanyl]ethenyl]-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'BNZZZUQOYBAEPR-APSKFQFRSA-N',
'name': '2(1H)-Quinolinone, 3,4-dihydro-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-6-[(E)-2-[tetrahydro-2-methyl-5-(1-methylethenyl)-2-furanyl]ethenyl]-\n4,5-Dihydroxy-6-[(E)-2-(5-isopropenyl-2-methyltetrahydro-2-furanyl)vinyl]-3-methoxy-4-(4-methoxyphenyl)-3,4-dihydro-2(1H)-quinolinone\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'DMIIGSHOFYCWKW-RRGUOAIQSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'DMKSVUSAATWOCU-GJOKDQRHSA-N',
'name': 'Androsta-1,4-diene-17-carboxylic acid, 17-[(ethoxycarbonyl)oxy]-11-hydroxy-3-oxo-, chloromethyl ester, (9beta,11alpha,17beta)-\nChloromethyl (9beta,11alpha,17beta)-17-[(ethoxycarbonyl)oxy]-11-hydroxy-3-oxoandrosta-1,4-diene-17-carboxylate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'CBGUOGMQLZIXBE-YKAVRXPSSA-N',
'name': '(9beta,11alpha,16beta,17alpha)-21-Chloro-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl propionate\nPregna-1,4-diene-3,20-dione, 21-chloro-9-fluoro-11-hydroxy-16-methyl-17-(1-oxopropoxy)-, (9beta,11alpha,16beta,17alpha)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'DIPHJTHZUWDJIK-PENYXARVSA-N',
'name': '(3alpha,5beta,7alpha,12alpha,24R)-Cholestane-3,7,12,24,26,27-hexol\nCholestane-3,7,12,24,26,27-hexol, (3alpha,5beta,7alpha,12alpha,24R)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'RBVNENAKUTUHCM-JLJUYRCPSA-N',
'name': '(1S,2S,3R,4S,5S,6S)-4-(beta-L-Arabinopyranosyloxy)-2,3,5,6-tetrahydroxycyclohexyl 1H-indol-3-ylacetate\n1H-Indole-3-acetic acid, (1alpha,2alpha,3alpha,4beta,5alpha,6beta)-4-(beta-L-arabinopyranosyloxy)-2,3,5,6-tetrahydroxycyclohexyl ester\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'PJISFWZBZIAYFX-UHFFFAOYSA-N',
'name': "1-[(2R,3S,4aS,6R,8aS)-2-[2-(4'-Fluoro-4-biphenylyl)ethyl]-6-(hydroxymethyl)octahydropyrano[3,2-b]pyran-3-yl]-3-isopropylurea\nD-glycero-D-gulo-Undecitol, 2,6:5,9-dianhydro-3,4,7,8,10,11-hexadeoxy-11-(4'-fluoro[1,1'-biphenyl]-4-yl)-8-[[[(1-methylethyl)amino]carbonyl]amino]-\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'OHDXGZAYYBMHCY-UHFFFAOYSA-N',
'name': '(2E,4E,6E)-N-[(1S)-3-({(2S)-3-Methyl-1-[(3R,4S)-4-methyl-2,5-dioxo-3-pyrrolidinyl]-1-oxo-2-butanyl}amino)-3-oxo-1-phenylpropyl]-2,4,6-octatrienamide\nBenzenepropanamide, N-[(1S)-2-methyl-1-[[(3R,4S)-4-methyl-2,5-dioxo-3-pyrrolidinyl]carbonyl]propyl]-beta-[[(2E,4E,6E)-1-oxo-2,4,6-octatrien-1-yl]amino]-, (betaS)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'LTTXSGLYPYVGRL-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'QAJHJCWGVHAROJ-UHFFFAOYSA-N',
'name': '(4E)-4-[(Sulfooxy)imino]-4-{[4,5,6-trihydroxy-3-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]sulfanyl}butyl benzoate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'CARQCAHMXWHUIE-UHFFFAOYSA-N',
'name': "(4S)-2-{(1S)-1-Hydroxy-2-methyl-1-[(2S,2'E,4R,4'R)-2'-(6-oxo-2,4-cyclohexadien-1-ylidene)-2,4'-bi-1,3-thiazolidin-4-yl]-2-propanyl}-4-methyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid\n4-Thiazolecarboxylic acid, 4,5-dihydro-2-[(2S)-2-hydroxy-1,1-dimethyl-2-[(2S,2'E,4R,4'R)-2'-(6-oxo-2,4-cyclohexadien-1-ylidene)[2,4'-bithiazolidin]-4-yl]ethyl]-4-methyl-, (4S)-\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'BJOOZVRXQJKFLX-PRKGTJFTSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'LXKXIOKPTIHHOZ-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ONIIFUCGUYMWTD-UHFFFAOYSA-N',
'name': 'Methyl (3E,5S)-5-[(1S,5S,13S,15S)-5-acetoxy-10-chloro-6-methyl-3-oxo-2,14-dioxabicyclo[11.2.1]hexadeca-6,9-dien-15-yl]-5-hydroxy-3-methyl-3-pentenoate\n3-Pentenoic acid, 5-[(1S,5S,13S,15S)-5-(acetyloxy)-10-chloro-6-methyl-3-oxo-2,14-dioxabicyclo[11.2.1]hexadeca-6,9-dien-15-yl]-5-hydroxy-3-methyl-, methyl ester, (3E,5S)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'CWTCWGGPTVMMLT-NRHWTYQISA-N',
'name': 'O-{4-[1-Amino-2-({1-[carboxy(4-hydroxyphenyl)methyl]-2-oxo-3-azetidinyl}amino)-2-oxoethyl]phenyl}homoserine\nHomoserine, O-[4-[1-amino-2-[[1-[carboxy(4-hydroxyphenyl)methyl]-2-oxo-3-azetidinyl]amino]-2-oxoethyl]phenyl]-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'KZVHAGNFWJIOMX-UHFFFAOYSA-N',
'name': '4-Tetradecen-13-ynamide, 9-(chloromethylene)-N-[(3E)-5-[(2S)-2,5-dihydro-2-methyl-5-oxo-1H-pyrrol-1-yl]-3-methoxy-5-oxo-3-penten-1-yl]-6-methyl-, (4E,9E)-\n(4E,9E)-9-(Chloromethylene)-N-{(3E)-3-methoxy-5-[(2S)-2-methyl-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-5-oxo-3-penten-1-yl}-6-methyl-4-tetradecen-13-ynamide\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'DKTKMSWUIFSPMU-PRZBLRGNSA-N',
'name': 'butanoic acid, (1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-1,1,3,6,8-pentamethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulene-9,9a-diyl ester\n(1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-1,1,3,6,8-pentamethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulene-9,9a-diyl dibutanoate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'QDJVBGSICOFMCW-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'PRVBXXHHHXSICY-UHFFFAOYSA-N',
'name': '4,13-Tetradecadienamide, 9-(chloromethylene)-N-[(3E)-5-[(2S)-2,5-dihydro-2-methyl-5-oxo-1H-pyrrol-1-yl]-3-methoxy-5-oxo-3-penten-1-yl]-6-methyl-, (4E,9E)-\n(4E,9E)-9-(Chloromethylene)-N-{(3E)-3-methoxy-5-[(2S)-2-methyl-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-5-oxo-3-penten-1-yl}-6-methyl-4,13-tetradecadienamide\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'LUGVDODKYUXXRX-NQLNTKRDSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'BHDLTTMCLJUXJB-UHFFFAOYSA-N',
'name': '(2R)-3-Cyclopentyl-N-{3,3-dimethyl-1-oxo-1-[4-(1,3-thiazol-2-ylmethyl)-1-piperazinyl]-2-butanyl}-2-{[formyl(hydroxy)amino]methyl}propanamide\nCyclopentanepropanamide, N-[2,2-dimethyl-1-[[4-(2-thiazolylmethyl)-1-piperazinyl]carbonyl]propyl]-alpha-[(formylhydroxyamino)methyl]-, (alphaR)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'KJHOCLYVJRTASU-SQMFLSJESA-N',
'name': "[(1'S,2'R,4R)-2-Ammonio-2'-(1H-indol-3-yl)-1,1'',3''-trimethyl-5,5''-dioxo-1,4',5,9'-tetrahydro-2''H-dispiro[imidazole-4,3'-carbazole-1',4''-imidazolidin]-2''-ylidene]ammonium\nDispiro[4H-imidazole-4,3'-[1H]carbazole-1'(2'H),4''-imidazolidine]-5,5''(1H)-dione, 2-amino-4',9'-dihydro-2''-imino-2'-(1H-indol-3-yl)-1,1'',3''-trimethyl-, conjugate diacid, (1'S,2'R,4R)-\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'BUSZTTGPPRHCRZ-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'POOOTUBYIGVPQB-KOARNGDQSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'XNBGMEGJUYHLRB-UHFFFAOYSA-N',
'name': '1H-Benzo[b]fluorene-11-diazonium, 1,2,3-tris(acetyloxy)-2,3,4,9-tetrahydro-4,5,10-trihydroxy-2-methyl-9-oxo-, inner salt\n1,2,3-Triacetoxy-11-diazonio-4,10-dihydroxy-2-methyl-9-oxo-2,3,4,9-tetrahydro-1H-benzo[b]fluoren-5-olate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'SNUDIPVBUUXCDG-MXYBEHONSA-N',
'name': '[(2,2-Dimethylpropanoyl)oxy]methyl (4S,5R,6S)-3-{[1-(4,5-dihydro-1,3-thiazol-2-yl)-3-azetidinyl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate\n1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[1-(4,5-dihydro-2-thiazolyl)-3-azetidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (4S,5R,6S)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'KMVGZHAXSWPDLJ-YQLYFKSQSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'KMVGZHAXSWPDLJ-CHMKTJRNSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'WMWTYOKRWGGJOA-HCAVUHQRSA-N',
'name': '(6alpha,9beta,11alpha,16alpha,17beta)-6,9-Difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl propionate\nAndrosta-1,4-diene-17-carbothioic acid, 6,9-difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)-, S-(fluoromethyl) ester, (6alpha,9beta,11alpha,16alpha,17beta)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'XHCHLLAMGRBLGN-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'CSWHGZBGPFXBAH-UXHICEINSA-N',
'name': 'L-Glutamine, L-gamma-glutamyl-N-[2-[4-[[5-(aminomethyl)-3-furanyl]methoxy]phenyl]ethyl]-\nL-gamma-Glutamyl-N-[2-(4-{[5-(aminomethyl)-3-furyl]methoxy}phenyl)ethyl]-L-glutamine\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'BQZBPAFALHFIMA-GBNJDRHDSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'KXNPVXPOPUZYGB-YZYLHUITSA-N',
'name': '2-Piperidinecarboxylic acid, 1-[(2S)-5-[(aminoiminomethyl)amino]-1-oxo-2-[[(1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl]amino]pentyl]-4-methyl-, (2S,4R)-\n(2S,4R)-4-Methyl-1-{N~2~-[(3-methyl-1,2,3,4-tetrahydro-8-quinolinyl)sulfonyl]-L-arginyl}-2-piperidinecarboxylic acid\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'CSKRCVQJKJFWGN-UIOOFZCWSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'PYGCSAAZMAASLA-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ZLKHATAJGWAFJX-UHFFFAOYSA-N',
'name': '3,22-Methano-1H-10,4-benzoxaazacycloeicosine-1,5,9,18,23(4H,6H,11H)-pentone, 15-ethyl-12,15,16,17-tetrahydro-12,19-dihydroxy-8,11,20-trimethyl-, (7Z,11S,12S,13E)-\n(10E,12S,13S,16Z)-9-Ethyl-4,12-dihydroxy-3,13,16-trimethyl-14-oxa-20-azatricyclo[19.3.1.0~5,24~]pentacosa-1(24),2,4,10,16,21-hexaene-6,15,19,23,25-pentone\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'NFZHZBZONXPYAQ-NPKLFXHASA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'QMNUPNOLDLHVTB-IWDBHXEASA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'HFNOFNDLBTVECO-UHFFFAOYSA-M',
'name': '3-Ethyl-2-[(2Z)-2-(3-ethyl-6-sulfo-1,3-benzothiazol-2(3H)-ylidene)hydrazino]-6-sulfo-1,3-benzothiazol-3-ium\n6-Benzothiazolesulfonic acid, 3-ethyl-2-[(2E)-2-(3-ethyl-6-sulfo-2(3H)-benzothiazolylidene)hydrazinylidene]-2,3-dihydro-, conjugate monoacid, (2Z)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'LGNSRQOKLMYSFC-ONTIZHBOSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'JJAZXIBNMHUGFX-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'UFCLZKMFXSILNL-XAIBDRPMSA-N',
'name': '(1S,3R,4R,5R)-3,4-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-1,5-dihydroxycyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 3,4-bis[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,5-dihydroxy-, (1S,3R,4R,5R)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'STZYTFJPGGDRJD-FAJFTSBPSA-N',
'name': '(1S,2R,3S,4S,6R,7R,8R,14R)-3-Hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.0~1,8~]tetradec-6-yl {[(3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]sulfanyl}acetate\nAcetic acid, 2-[[(3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]thio]-, (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'YORDWFCXQCUPHI-UHFFFAOYSA-N',
'name': "(1'R,2S,3'S,4'S,5R,7'R,10'R)-3'-Hydroxy-10'-(hydroxymethyl)-4,4,5,15'-tetramethyl-3,9',14'-trioxodihydro-3H-spiro[furan-2,5'-[11,12,13]trithia[8,15]diazatetracyclo[8.3.2.0~1,8~.0~3,7~]pentadecan]-4'-yl acetate\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'XLZUBCUKXQFBKB-JZWLZXDTSA-N',
'name': '5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-chromeniumyl 6-O-(carboxyacetyl)-beta-D-glucopyranoside\nbeta-D-Glucopyranoside, 5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium-3-yl, 6-(2-carboxyacetate)\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'TXAXFBCPBAPIKN-UZNMPDEFSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'CNTMYVFPLVDMFY-HIVUMZBNSA-N',
'name': "(10aR,11aR,16aS)-11a-Hydroxy-6,6-dimethyl-15-(3-methyl-2-buten-1-yl)-11,11a,16,16a-tetrahydro-5H-indolo[3''',2''':4'',5'']azocino[1'',2'':4',5']pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-10,18(6H,10aH)-dione\n5H-Indolo[3''',2''':4'',5'']azocino[1'',2'':4',5']pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-10,18(6H,10aH)-dione, 11,11a,16,16a-tetrahydro-11a-hydroxy-6,6-dimethyl-15-(3-methyl-2-buten-1-yl)-, (10aR,11aR,16aS)-\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'KMFKNAATJIDJKG-QIYAOHMLSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'CNTMYVFPLVDMFY-HKLHDHSASA-N',
'name': "5H-Indolo[3''',2''':4'',5'']azocino[1'',2'':4',5']pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-10,18(6H,10aH)-dione, 11,11a,16,16a-tetrahydro-11a-hydroxy-6,6-dimethyl-15-(3-methyl-2-buten-1-yl)-, (10aR,11aR,16aS)-\n(10aR,11aR,16aS)-11a-Hydroxy-6,6-dimethyl-15-(3-methyl-2-buten-1-yl)-11,11a,16,16a-tetrahydro-5H-indolo[3''',2''':4'',5'']azocino[1'',2'':4',5']pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-10,18(6H,10aH)-dione\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'OEKWJQXRCDYSHL-MGXMICMRSA-N',
'name': '(1R,2S,3R,5S)-3-[7-{[(1R,2R)-2-(3,4-Difluorophenyl)cyclopropyl]amino}-5-(propylsulfanyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-1,2-cyclopentanediol\n1,2-Cyclopentanediol, 3-[7-[[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-, (1R,2S,3R,5S)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'JSBSVMCRQHPARV-MFWIRICFSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'OXGAGPAURVYCEQ-KVGPODKWSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'JCWDCFZWMNQYSJ-UHFFFAOYSA-N',
'name': 'Urea, N-[(Z)-[(3S,9R,12R,15S)-15-amino-9-(aminomethyl)-3-[(4R)-2-amino-2,3,4,5-tetrahydro-4-pyrimidinyl]-12-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclohexadec-6-ylidene]methyl]-\n1-[(Z)-{(3S,9R,12R,15S)-15-Amino-9-(aminomethyl)-3-[(4R)-2-amino-2,3,4,5-tetrahydro-4-pyrimidinyl]-12-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-6-ylidene}methyl]urea\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'KSYRCWWRVVIIEX-UHFFFAOYSA-N',
'name': 'N-[(2Z,5Z)-6-{[(2E,4E,6S,7S,8R,9S,10E)-7,9-Dimethoxy-3,6,8-trimethyl-11-phenyl-2,4,10-undecatrienoyl]amino}-2,5-hexadienoyl]glycine\nGlycine, N-[(2Z,5Z)-6-[[(2E,4E,6S,7S,8R,9S,10E)-7,9-dimethoxy-3,6,8-trimethyl-1-oxo-11-phenyl-2,4,10-undecatrien-1-yl]amino]-1-oxo-2,5-hexadien-1-yl]-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'SVKSSWZXLVXEJI-GOWJNXQMSA-N',
'name': "(12aS)-2-[2-(3,4-Dimethoxyphenyl)ethyl]-6-(4-methoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione\nPyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione, 2-[2-(3,4-dimethoxyphenyl)ethyl]-2,3,6,7,12,12a-hexahydro-6-(4-methoxyphenyl)-, (12aS)-\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'FLSWFDOLGDBPBF-IMUWMWHESA-N',
'name': 'L-Proline, 4-[[O-beta-L-arabinofuranosyl-(1->2)-O-beta-L-arabinofuranosyl-(1->2)-beta-L-arabinofuranosyl]oxy]-, (4S)-\n(2S,4S)-4-{[beta-L-Arabinofuranosyl-(1->2)-beta-L-arabinofuranosyl-(1->2)-beta-L-arabinofuranosyl]oxy}-2-pyrrolidiniumcarboxylate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'YSXWOFMOJMYBIO-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'JWJOTENAMICLJG-UUJLXMGASA-N',
'name': '(4aR,4bR,6aS,7R,9aS,9bS,11aR)-N-[2,5-Bis(trifluoromethyl)phenyl]-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide\n1H-Indeno[5,4-f]quinoline-7-carboxamide, N-[2,5-bis(trifluoromethyl)phenyl]-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bR,6aS,7R,9aS,9bS,11aR)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'MRENMDHAGXAXRK-UHFFFAOYSA-N',
'name': '3H-Cyclopenta[7,8]cyclodec[1,2-d]oxireno[f]isoindole-3,5,6-trione, 3a,4,7,8,8a,9,9a,10a,10b,13,14,14a-dodecahydro-2-hydroxy-8-(1H-indol-3-ylmethyl)-1,9,9a,14-tetramethyl-, (3aR,5aR,8S,8aR,9S,9aR,10aS,10bR,11E,14S,14aR)-\n(3aR,5aR,8S,8aR,9S,9aR,10aS,10bR,11E,14S,14aR)-2-Hydroxy-8-(1H-indol-3-ylmethyl)-1,9,9a,14-tetramethyl-3a,4,7,8,8a,9,9a,10a,10b,13,14,14a-dodecahydro-3H-cyclopenta[7,8]cyclodeca[1,2-d]oxireno[f]isoindole-3,5,6-trione\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'YELIPOKKMDESCH-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'FPNAKNFLJIQADW-UHFFFAOYSA-N',
'name': '(3S,3aR,6S,6aR,7E,10S,11E,14S,17aR)-6,14-Dihydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3,3a,6,6a,9,10,15,16-octahydro-1H-cyclotrideca[d]isoindole-1,13,17(2H,14H)-trione\n1H-Cyclotridec[d]isoindole-1,13,17(2H,14H)-trione, 3,3a,6,6a,9,10,15,16-octahydro-6,14-dihydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-, (3S,3aR,6S,6aR,7E,10S,11E,14S,17aR)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'KTFGDHPTDQFFRL-UHFFFAOYSA-N',
'name': '3H-Cyclotridec[d]oxireno[f]isoindole-7,11,12(4H,8H,13H)-trione, 9,10,14,14a,15,15a,16a,16b-octahydro-8-hydroxy-14-(1H-indol-3-ylmethyl)-4,6,15,15a-tetramethyl-, (1E,4S,5E,8S,11aR,14S,14aR,15S,15aR,16aS,16bR)-\n(1E,4S,5E,8S,11aR,14S,14aR,15S,15aR,16aS,16bR)-8-Hydroxy-14-(1H-indol-3-ylmethyl)-4,6,15,15a-tetramethyl-9,10,14,14a,15,15a,16a,16b-octahydro-3H-cyclotrideca[d]oxireno[f]isoindole-7,11,12(4H,8H,13H)-trione\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'UKQUNUSSEKGBDS-UZNMPDEFSA-N',
'name': "(1'R,3'R,8'R,12'S,13'R,18'E,20'Z,24'R,25'S)-12'-Hydroxy-13',25'-dimethyl-11',17',22'-trioxospiro[oxirane-2,26'-[2,10,16,23]tetraoxatetracyclo[22.2.1.0~3,8~.0~8,25~]heptacosa[4,18,20]triene]-5'-carboxylic acid\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'WQNUMQIGYLPRJS-UHFFFAOYSA-N',
'name': '[(2R,3S)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methyl 3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl dihydrogen diphosphate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'BUTLVTAFDGYVNP-UGHAWNMTSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'BKSGURPARYMZLY-ZSVMZQBZSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'WBVLQMCMYUHVOR-XUTLUUPISA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'WBVLQMCMYUHVOR-VZCXRCSSSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'RMSKZOXJAHOIER-RQTAXCTMSA-N',
'name': '2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-6-yl ester, (2E)-\n(1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-Glucopyranosyloxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'XHTUDGVBJDVOEZ-UHFFFAOYSA-N',
'name': 'Glycine, N-[(2Z,5Z)-6-[[(2E,4E,6S,7S,8R,9S,10E)-7,9-dimethoxy-3,6,8-trimethyl-1-oxo-11-phenyl-2,4,10-undecatrien-1-yl]amino]-1-oxo-2,5-hexadien-1-yl]-, methyl ester\nMethyl N-[(2Z,5Z)-6-{[(2E,4E,6S,7S,8R,9S,10E)-7,9-dimethoxy-3,6,8-trimethyl-11-phenyl-2,4,10-undecatrienoyl]amino}-2,5-hexadienoyl]glycinate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'WSGDXSYLEUNHJC-UHFFFAOYSA-N',
'name': '2-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-2-octadecanyl]tetradecanamide\nTetradecanamide, N-[(1S,2S,3R)-2,3-dihydroxy-1-(hydroxymethyl)heptadecyl]-2-hydroxy-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'KDIRTCPHKDPWMQ-ASAMELDWSA-N',
'name': 'Hexopyranoside, 4-[(9-hexopyranosyl-9H-purin-6-yl)amino]-2-methylbutyl\n4-[(9-Hexopyranosyl-9H-purin-6-yl)amino]-2-methylbutyl hexopyranoside\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'SSHVAUUEPNULMP-UHFFFAOYSA-N',
'name': '(2E,4E,6E)-7-Cyclohexyl-N-[(1S,5S,6R)-5-hydroxy-5-{(1E,3E,5E)-7-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-7-oxo-1,3,5-heptatrien-1-yl}-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-2,4,6-heptatrienamide\n2,4,6-Heptatrienamide, 7-cyclohexyl-N-[(1S,5S,6R)-5-hydroxy-5-[(1E,3E,5E)-7-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-7-oxo-1,3,5-heptatrien-1-yl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-, (2E,4E,6E)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'GXXPQGPTEVHUTJ-UHFFFAOYSA-N',
'name': '(3S,3aR,4S,5R,6S,6aR,7E,10S,11E,13R,15E,17aR)-5,6,13-Trihydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-2,3,3a,4,5,6,6a,9,10,13-decahydro-1H-cyclotrideca[d]isoindole-1,14,17-trione\n1H-Cyclotridec[d]isoindole-1,14,17-trione, 2,3,3a,4,5,6,6a,9,10,13-decahydro-5,6,13-trihydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-, (3S,3aR,4S,5R,6S,6aR,7E,10S,11E,13R,15E,17aR)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'DDBDLBYOQQNQFM-NTNZINMGSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'XLNHRKMLLJUXMU-WYCQDLHKSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'IDLAOOFFVYMLHU-RDCHEIOCSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'BGCIWBMYVKHZNX-PQWGFPSMSA-N',
'name': 'Hexadecanamide, 2-hydroxy-N-[(1S,2R,3E,7E)-2-hydroxy-1-(hydroxymethyl)-3,7-heptadecadien-1-yl]-\nN-[(2S,3R,4E,8E)-1,3-Dihydroxy-4,8-octadecadien-2-yl]-2-hydroxyhexadecanamide\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'AAGAYZNADYXWIQ-UHFFFAOYSA-N',
'name': 'Tricyclo[18.2.2.2~9,12~]hexacosa-9,11,20,22,23,25-hexaene-10,21,24,26-tetrol, 8,19-dibutyl-3,14-dimethyl-, (3S,8S,14S,19S)-\n(3S,8S,14S,19S)-8,19-Dibutyl-3,14-dimethyltricyclo[18.2.2.2~9,12~]hexacosa-1(22),9,11,20,23,25-hexaene-10,21,24,26-tetrol\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'SUMVQFSAPMASFY-IOPCWJIMSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'SUMVQFSAPMASFY-HCDZFISBSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'GBZONYOEPVAVLC-UHFFFAOYSA-N',
'name': '(2R)-2-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-2-octadecanyl]pentadecanamide\nPentadecanamide, N-[(1S,2S,3R)-2,3-dihydroxy-1-(hydroxymethyl)heptadecyl]-2-hydroxy-, (2R)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'FCLRMHVOEFMMCX-RRWZXMNXSA-N',
'name': "Dispiro[imidazolidine-4,1'-[1H]carbazole-3'(2'H),4''-imidazolidine]-5,5''-dione, 7'-bromo-4',9'-dihydro-2,2''-diimino-2'-(1H-indol-3-yl)-1,3-dimethyl-, conjugate diacid, (2'R,3'R,4S)-\n[(1'S,2'R,4R)-2-Ammonio-7'-bromo-2'-(1H-indol-3-yl)-1'',3''-dimethyl-5,5''-dioxo-1,4',5,9'-tetrahydro-2''H-dispiro[imidazole-4,3'-carbazole-1',4''-imidazolidin]-2''-ylidene]ammonium\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'VMDRKPOWEASMAD-UHFFFAOYSA-N',
'name': "Spiro[furo[3',2':5,6]naphth[2,1-c]oxepin-2(3H),9'-[9H]imidazo[1,2-a]indole]-3',8(2'H,5H)-dione, 4-(acetyloxy)-1',3a,3b,4,5a,6,9'a,10a,10b,11,12,12a-dodecahydro-2',3b,6,6,10a,12a-hexamethyl-, (2S,2'S,3aS,3bR,4S,5aR,9a'S,10aR,10bR,12aS)-\n(2S,2'S,3aS,3bR,4S,5aR,9a'S,10aR,10bR,12aS)-2',3b,6,6,10a,12a-Hexamethyl-3',8-dioxo-1',2',3',3a,3b,4,5,5a,6,8,9a',10a,10b,11,12,12a-hexadecahydro-3H-spiro[furo[3',2':5,6]naphtho[2,1-c]oxepine-2,9'-imidazo[1,2-a]indol]-4-yl acetate\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'MZQOGEPCWATXRH-JBRGSHCUSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'GHLIFBNIGXVDHM-UHFFFAOYSA-N',
'name': 'D-Galactitol, 1,5-anhydro-3,6-dideoxy-3-(dimethylamino)-1-C-(8-ethenyl-1-hydroxy-10,12-dimethoxy-6-oxo-6H-benzo[d]naphtho[1,2-b]pyran-4-yl)-, 4-acetate, (1xi)-\n(1xi)-4-O-Acetyl-1,5-anhydro-3,6-dideoxy-3-(dimethylamino)-1-(1-hydroxy-10,12-dimethoxy-6-oxo-8-vinyl-6H-dibenzo[c,h]chromen-4-yl)-D-galactitol\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'TZXPILCYVLWMNW-DXXMRVLNSA-N',
'name': '(11Z)-N-[(2S,3R,4E)-1,3-Dihydroxy-4-octadecen-2-yl]-11-octadecenamide\n11-Octadecenamide, N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)-3-heptadecen-1-yl]-, (11Z)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'WNPWDGNHTKGEDS-KQVPNVSOSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ZLBRGMMCUDDXLB-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'JMPLFUURXXTPIA-LNVKXUELSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'JMPLFUURXXTPIA-XTQSDGFTSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'NAIKIJSSBJHCBL-UHFFFAOYSA-N',
'name': '(4E,9E)-14-Bromo-9-(chloromethylene)-N-{(3E)-3-methoxy-5-[(2S)-2-methyl-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-5-oxo-3-penten-1-yl}-6-methyl-4-tetradecen-13-ynamide\n4-Tetradecen-13-ynamide, 14-bromo-9-(chloromethylene)-N-[(3E)-5-[(2S)-2,5-dihydro-2-methyl-5-oxo-1H-pyrrol-1-yl]-3-methoxy-5-oxo-3-penten-1-yl]-6-methyl-, (4E,9E)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'PNJDFZNVNWQTFD-CWOOBJQPSA-N',
'name': "5H-Azeto[1,2-a]indolo[3''',2''':4'',5'']azocino[1'',2'':4',5']pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-10,20(6H,10aH)-dione, 11,11a,17,18-tetrahydro-10a,11a-dihydroxy-11-methoxy-6,6,17,17,18-pentamethyl-\n10a,11a-Dihydroxy-11-methoxy-6,6,17,17,18-pentamethyl-11,11a,17,18-tetrahydro-5H-azeto[1,2-a]indolo[3''',2''':4'',5'']azocino[1'',2'':4',5']pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-10,20(6H,10aH)-dione\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'YZQRMJFPWMHAJV-DTOWOETDSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'KESXJPXRCQREDU-INRCXLCWSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'QDYQTXMOZIGCQB-SLAVHBLRSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'QYYXQWVXWIYWSE-CLEZSSNSSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'YRUIPRJNLCHFCW-MCBNQCOZSA-N',
'name': "2-[(2R,6R,6aR,12aS)-6-Hydroxy-8,9-dimethoxy-1,2,6,6a,12,12a-hexahydrochromeno[3,4-b]furo[2,3-h]chromen-2-yl]-2-propen-1-yl beta-D-glucopyranoside\nbeta-D-Glucopyranoside, 2-[(2R,6R,6aR,12aS)-1,2,6,6a,12,12a-hexahydro-6-hydroxy-8,9-dimethoxyfuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-2-yl]-2-propen-1-yl\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'CFJUIISUVIQUCC-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'NYVFUDQEAURUPX-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'XDCIOTHEPAPFRV-LVDXCZGMSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'LBRJFDBQNUVAGM-VGCGLKNISA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'FLDOHWSTFPNSFC-MEHJSLHLSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'LCQKZDHUYPDPJZ-ZNTNEXAZSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'LCQKZDHUYPDPJZ-GYHWCHFESA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'DFPMSGMNTNDNHN-ILUPNGPDSA-N',
'name': '(2S)-5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside\n4H-1-Benzopyran-4-one, 7-[[2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (2S)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ZUXHELCHEWQXKW-JDUCZRBWSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'DPSVAJOUDJRIIM-COQKNACSSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'DPSVAJOUDJRIIM-MQRYIRRGSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'VJNFZONNMHDIHW-UHFFFAOYSA-N',
'name': '6-Oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-5(24),7,12(23),14,19(22),21-hexaene-2,9,16-trione, 4,7-dimethyl-18-[(1-methyl-1H-imidazol-5-yl)methyl]-11-[(1S)-1-methylpropyl]-, (4S,11S,18S)-\n(4S,11S,18S)-11-[(2S)-2-Butanyl]-4,7-dimethyl-18-[(1-methyl-1H-imidazol-5-yl)methyl]-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'VIKRIYAAOWJXCT-RSWHNJNYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'VGZNPOHVJNZAOU-UHFFFAOYSA-N',
'name': '(3E,5E,7Z)-8-({(4Z,6Z,8E,10E,12Z)-3-Hydroxy-16-[(2-hydroxy-4-methylpentanoyl)amino]-4,9-dimethyl-4,6,8,10,12-hexadecapentaenoyl}amino)-2-methyl-3,5,7-nonatrienoic acid\n3,5,7-Nonatrienoic acid, 8-[[(4Z,6Z,8E,10E,12Z)-3-hydroxy-16-[(2-hydroxy-4-methyl-1-oxopentyl)amino]-4,9-dimethyl-1-oxo-4,6,8,10,12-hexadecapentaen-1-yl]amino]-2-methyl-, (3E,5E,7Z)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'VRUIMVUMKGFUQI-UHFFFAOYSA-N',
'name': '({[(E)-(4-{[(2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propenoyl]oxy}-1-{[4,5,6-trihydroxy-3-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]sulfanyl}butylidene)amino]oxy}sulfonyl)oxidanide\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'RDKPMGJEUBFWAE-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'BRPRNHPFSOESDI-UHFFFAOYSA-N',
'name': '3-[(4E)-4-{(2E,4E,6E,8E,10E)-13-[(2,6-Dideoxy-beta-D-ribo-hexopyranosyl)oxy]-1-hydroxy-10,12,14-trimethyl-2,4,6,8,10-pentadecapentaen-1-ylidene}-1-methyl-3,5-dioxo-2-pyrrolidinyl]propanoic acid\n2-Pyrrolidinepropanoic acid, 4-[(2E,4E,6E,8E,10E)-13-[(2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy]-1-hydroxy-10,12,14-trimethyl-2,4,6,8,10-pentadecapentaen-1-ylidene]-1-methyl-3,5-dioxo-, (4E)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'VJJPUSNTGOMMGY-AGPSDJBRSA-N',
'name': "(5S,5aR,8aR,9S)-9-(4-Hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-[(1R)-ethylidene]-beta-D-mannopyranoside\nFuro[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 9-[[4,6-O-[(1R)-ethylidene]-beta-D-mannopyranosyl]oxy]-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5S,5aR,8aR,9S)-\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'UCTZCWQKJZMJPR-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'AFDQSGCRFSQQDQ-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'KSCLXDPNSMLYPU-NKMZUGPOSA-N',
'name': '(2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-9-Ethyl-13-hydroxy-14-methyl-7,15-dioxo-2,3,3a,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-hexadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-2,3,4-tri-O-methyl-alpha-L-mannopyranoside\n1H-as-Indaceno[3,2-d]oxacyclododecin-7,15-dione, 2-[(6-deoxy-2,3,4-tri-O-methyl-alpha-L-mannopyranosyl)oxy]-9-ethyl-2,3,3a,5a,5b,6,9,10,11,12,13,14,16a,16b-tetradecahydro-13-hydroxy-14-methyl-, (2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'UINZSMIFSIQGBZ-PYCLNWOXSA-N',
'name': '(1S)-1,5-Anhydro-2-O-(6-deoxy-alpha-L-mannopyranosyl)-1-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-6-yl]-D-glucitol\nD-Glucitol, 1,5-anhydro-2-O-(6-deoxy-alpha-L-mannopyranosyl)-1-C-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-1-benzopyran-6-yl]-, (1S)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'HFUYHHROXLKXRR-VPEVNTOJSA-N',
'name': '(1S)-1,5-Anhydro-2-O-(6-deoxy-alpha-L-mannopyranosyl)-1-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-8-yl]-D-glucitol\nD-Glucitol, 1,5-anhydro-2-O-(6-deoxy-alpha-L-mannopyranosyl)-1-C-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-1-benzopyran-8-yl]-, (1S)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'YIAOKSMOIJEDIZ-WBNGIBIFSA-N',
'name': '(2E)-N-[(2E,6Z,8Z)-11-(4-{(2S)-2-[(3S,4R)-4,8-Dihydroxy-7-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl]propyl}-1,3-oxazol-2-yl)-2,6,8-dodecatrien-1-yl]-3-methoxy-N-methyl-2-butenamide\n2-Butenamide, N-[(2E,6Z,8Z)-11-[4-[(2S)-2-[(3S,4R)-3,4-dihydro-4,8-dihydroxy-7-methyl-1-oxo-1H-2-benzopyran-3-yl]propyl]-2-oxazolyl]-2,6,8-dodecatrien-1-yl]-3-methoxy-N-methyl-, (2E)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'JDFFHSAZHLSUGB-LLRUVXLESA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'DVGGLGXQSFURLP-HBRSJUJESA-N',
'name': '5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside\n4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]oxy]-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ZBQZCMIYCTXPBB-DRXSHZPGSA-N',
'name': 'beta-D-Glucopyranose, 1-O-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-hexamethyl-1-oxo-2,4,6,8,10,12,14,16,18,22-tetracosadecaen-1-yl]-\n1-O-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-Hexamethyl-2,4,6,8,10,12,14,16,18,22-tetracosadecaenoyl]-beta-D-glucopyranose\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'SJGXLSYEYLGFRT-SIAGYLGLSA-N',
'name': '4-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]-2,3-dihydroxyphenyl 6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-L-glucopyranoside\n2-Propen-1-one, 1-[2,3-dihydroxy-4-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-L-glucopyranosyl]oxy]phenyl]-3-(3,4-dihydroxyphenyl)-, (2E)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'PHQCFARQBSPGHM-XUDVLBGNSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'GZSCBFBKKBBBJK-UHFFFAOYSA-N',
'name': '3,7-Bis[(6-deoxyhexopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-4-oxo-6,7-dihydro-4H-chromen-5-olate\n4H-1-Benzopyran-4-one, 3,7-bis[(6-deoxyhexopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-6,7-dihydro-5-hydroxy-, ion(1-)\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'MQZIGYBFDRPAKN-DOFNFVQSSA-N',
'name': "(3S,3'S)-3,3'-Dihydroxy-beta,beta-carotene-4,4'-dione\nbeta,beta-Carotene-4,4'-dione, 3,3'-dihydroxy-, (3S,3'S)-\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'FOAPRBCMXZQJRS-UHFFFAOYSA-N',
'name': 'beta-D-Mannopyranosyl-(1->3)-4,6-O-[(1R)-2-(carboxyoxy)-1-methyl-2-oxoethylidene]-beta-D-glucopyranosyl-(1->4)-3,6-dideoxy-3-methyl-alpha-L-mannopyranose\nalpha-L-Mannopyranose, O-beta-D-mannopyranosyl-(1->3)-O-4,6-O-[(1R)-2-(carboxyoxy)-1-methyl-2-oxoethylidene]-beta-D-glucopyranosyl-(1->4)-3,6-dideoxy-3-methyl-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'MLFRGWSNAAXDDI-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'PGYAYSRVSAJXTE-SPHYDKQBSA-N',
'name': "(3S,3'S,5R,5'R,6'S,9'cis)-6,7-Didehydro-5,5',6,6'-tetrahydro-5',6'-epoxy-beta,beta-carotene-3,3',5-triol\nbeta,beta-Carotene-3,3',5-triol, 6,7-didehydro-5',6'-epoxy-5,5',6,6'-tetrahydro-, (3S,3'S,5R,5'R,6'S,9'cis)-\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'SZCBXWMUOPQSOX-YAJWCAOTSA-N',
'name': "(3S,3'S,5R,5'R,6S,6'S)-5,5',6,6'-Tetrahydro-5,6:5',6'-diepoxy-beta,beta-carotene-3,3'-diol\nbeta,beta-Carotene-3,3'-diol, 5,6:5',6'-diepoxy-5,5',6,6'-tetrahydro-, (3S,3'S,5R,5'R,6S,6'S)-\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'KWPPERTUHPQBHX-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'SBUXZMWLUZDDQC-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'VWUXBMIQPBEWFH-QOMRVHNVSA-N',
'name': '(7alpha,17beta)-7-{9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17-diol\nEstra-1(10),2,4-triene-3,17-diol, 7-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]-, (7alpha,17beta)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'VEFFHOUFMFSQDR-CUCSTAJMSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'QQIHEYPAZCFNIU-PBSJYYDSSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'QQIHEYPAZCFNIU-AHKYONOPSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'VLCIAVLHXXOWFZ-DCEAYBHQSA-N',
'name': '(2S,6S,8S,9R,12Z,14E,25R,27S)-16-Ethyl-6,8,9-trihydroxy-12-(methoxymethyl)-25,27-dimethyl-2-propyl-1-oxa-4-azacyclooctacosa-12,14-diene-3,28-dione\n1-Oxa-4-azacyclooctacosa-12,14-diene-3,28-dione, 16-ethyl-6,8,9-trihydroxy-12-(methoxymethyl)-25,27-dimethyl-2-propyl-, (2S,6S,8S,9R,12Z,14E,25R,27S)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ASGPYKWSAHQKOG-UKZVXNJMSA-N',
'name': 'N-[(2S,3S,4R,8E)-1,3,4-Trihydroxy-8-octadecen-2-yl]icosanamide\nEicosanamide, N-[(1S,2S,3R,7E)-2,3-dihydroxy-1-(hydroxymethyl)-7-heptadecen-1-yl]-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ASGPYKWSAHQKOG-HQNYZRANSA-N',
'name': 'Eicosanamide, N-[(1S,2S,3R,7E)-2,3-dihydroxy-1-(hydroxymethyl)-7-heptadecen-1-yl]-\nN-[(2S,3S,4R,8E)-1,3,4-Trihydroxy-8-octadecen-2-yl]icosanamide\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'PLKUTZNSKRWCCA-AVMIJPNQSA-N',
'name': '5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-chromeniumyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside\nbeta-D-Glucopyranoside, 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ARGKVCXINMKCAZ-UGXFHERTSA-N',
'name': '(2S)-5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside\n4H-1-Benzopyran-4-one, 7-[[2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (2S)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'BMTREWGCAFXASG-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ASUOGKFKMDYVPM-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'JJCFMNSMYLVHJU-OJHCZBFESA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'AFZFFLVORLEPPO-OUOWMNRXSA-N',
'name': '[(2,2-Dimethylpropanoyl)oxy]methyl (6R,7S)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)vinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate\n5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)-1-oxoethyl]amino]-3-[(Z)-2-(4-methyl-5-thiazolyl)ethenyl]-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (6R,7S)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'GCMHFZXSFGXOEE-CZIXKSQASA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'CKUVNOCSBYYHIS-LVFPYLGXSA-N',
'name': 'beta-D-Glucopyranoside, (3beta,12beta)-12,20-dihydroxydammar-24-en-3-yl\n(3beta,12beta)-12,20-Dihydroxydammar-24-en-3-yl beta-D-glucopyranoside\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'QIKVYJOCQXXRSJ-UHFFFAOYSA-N',
'name': '1-Naphthalenecarboxylic acid, 3-methoxy-5-methyl-, (1S)-2-[[(1E)-1-[(3R,4R,5S)-3-(acetyloxy)-4-hydroxy-1-azabicyclo[3.1.0]hex-2-ylidene]-2-[[(1Z)-1-(hydroxymethylene)-2-oxopropyl]amino]-2-oxoethyl]amino]-1-[(2S)-2-methyloxiranyl]-2-oxoethyl ester\n(1S)-2-{[(1E)-1-[(3R,4R,5S)-3-Acetoxy-4-hydroxy-1-azabicyclo[3.1.0]hex-2-ylidene]-2-{[(1Z)-1-hydroxy-3-oxo-1-buten-2-yl]amino}-2-oxoethyl]amino}-1-[(2S)-2-methyl-2-oxiranyl]-2-oxoethyl 3-methoxy-5-methyl-1-naphthoate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'IHBVMUCQCZEAPW-YBSDSQCQSA-N',
'name': '4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-[[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-\n2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'RRISDBXWLOLICW-KNMUPULGSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'BPQSCNQWKTWUJX-UHFFFAOYSA-N',
'name': '5H-Indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione, 12-[6-O-(4-amino-2,4-dideoxy-alpha-D-threo-pentopyranosyl)-4-O-methyl-beta-D-glucopyranosyl]-12,13-dihydro-6-methyl-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'GXXYNWUYVBIHLV-UHFFFAOYSA-N',
'name': "3,3'-[(7E,12E)-3,8,13,17-Tetramethyl-7,12-bis(1-sulfanylethylidene)-7,12,22,24-tetrahydroporphyrin-2,18-diyl]dipropanoic acid\n21H,23H-Porphine-2,18-dipropanoic acid, 7,12,22,24-tetrahydro-7,12-bis(1-mercaptoethylidene)-3,8,13,17-tetramethyl-, (7E,12E)-\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'CGUNOWXWUXNOPE-SWBALTNESA-N',
'name': '(2E)-3-Hexyl-12,14-dihydroxy-15-methyl-6-[(5E,7E)-1,2,4-trihydroxy-3,5,7-trimethyl-5,7-nonadien-1-yl]-5-oxa-17-thia-19-azabicyclo[14.2.1]nonadeca-1(18),2,8,10,16(19)-pentaen-4-one\n5-Oxa-17-thia-19-azabicyclo[14.2.1]nonadeca-2,8,10,16(19),18-pentaen-4-one, 3-hexyl-12,14-dihydroxy-15-methyl-6-[(5E,7E)-1,2,4-trihydroxy-3,5,7-trimethyl-5,7-nonadien-1-yl]-, (2E)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'CDXFXTJQNXLRGQ-KULLXTRWSA-N',
'name': '(2R)-N-[(2S,3R,4E,8E)-1,3-Dihydroxy-4,8-octadecadien-2-yl]-2-hydroxydocosanamide\nDocosanamide, 2-hydroxy-N-[(1S,2R,3E,7E)-2-hydroxy-1-(hydroxymethyl)-3,7-heptadecadien-1-yl]-, (2R)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'OYDHIJZSLWXELA-RRWZXMNXSA-N',
'name': "(1'S,2'R,4R)-2-Amino-7'-bromo-2'-(6-bromo-1H-indol-3-yl)-2''-imino-1'',3''-dimethyl-4',9'-dihydro-5''H-dispiro[imidazole-4,3'-carbazole-1',4''-imidazolidine]-5,5''(1H)-dione\nDispiro[imidazolidine-4,1'-[1H]carbazole-3'(2'H),4''-imidazolidine]-5,5''-dione, 7'-bromo-2'-(6-bromo-1H-indol-3-yl)-4',9'-dihydro-2,2''-diimino-1,3-dimethyl-, (2'R,3'R,4S)-\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'FWMRBEDBIVVKSX-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'NKJMWDBSQFISEX-AVZZZJHMSA-N',
'name': 'Docosanamide, N-[2,3-dihydroxy-1-(hydroxymethyl)-7-heptadecen-1-yl]-\nN-(1,3,4-Trihydroxy-8-octadecen-2-yl)docosanamide\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'NKJMWDBSQFISEX-AXBZRHPYSA-N',
'name': 'Docosanamide, N-[2,3-dihydroxy-1-(hydroxymethyl)-7-heptadecen-1-yl]-\nN-(1,3,4-Trihydroxy-8-octadecen-2-yl)docosanamide\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'DRYDKQOPVBDZMQ-XFJVJOSVSA-N',
'name': "Dimethyl (5S,5'S,6R,6'R,10aS,10a'S)-1,1',5,5',8,8'-hexahydroxy-6,6'-dimethyl-9,9'-dioxo-5,5',6,6',7,7',9,9'-octahydro-10aH,10a'H-2,2'-bixanthene-10a,10a'-dicarboxylate\n[7,7'-Bi-3H-xanthene]-4a,4'a(4H,4'H)-dicarboxylic acid, 2,2',9,9'-tetrahydro-1,1',4,4',8,8'-hexahydroxy-3,3'-dimethyl-9,9'-dioxo-, dimethyl ester, (3R,3'R,4S,4'S,4aS,4a'S)-\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'MLEYBVBRIZGXRW-UHFFFAOYSA-N',
'name': '4aH-Xanthene-4a-carboxylic acid, 7-[(2S)-3,4-dihydro-5-hydroxy-2-(methoxycarbonyl)-4-oxo-2-[(2S,3S)-tetrahydro-3-methyl-5-oxo-2-furanyl]-2H-1-benzopyran-6-yl]-2,3,4,9-tetrahydro-1,4,8-trihydroxy-3-methyl-9-oxo-, methyl ester, (3R,4S,4aS)-\nMethyl (3R,4S,4aS)-1,4,8-trihydroxy-7-{(2S)-5-hydroxy-2-(methoxycarbonyl)-2-[(2S,3S)-3-methyl-5-oxotetrahydro-2-furanyl]-4-oxo-3,4-dihydro-2H-chromen-6-yl}-3-methyl-9-oxo-2,3,4,9-tetrahydro-4aH-xanthene-4a-carboxylate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'UORGKBIHVJEQBO-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'OYMCWIDGOVGEEJ-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ARXPVMZZNQCBIB-UHFFFAOYSA-N',
'name': '4H-1-Benzopyran-4-one, 2,3-dihydro-6-methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-7-[[6-O-(tetrahydro-3,4-dihydroxy-4-methoxy-2-furanyl)hexopyranosyl]oxy]-\n6-Methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(3,4-dihydroxy-4-methoxytetrahydro-2-furanyl)hexopyranoside\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'HDOAFAWPMSBHGT-MXBGQREFSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'CKVBWFBLCKTQEC-FOCFSEODSA-N',
'name': '1,3,8,10-Tetraazadispiro[4.1.4.1]dodec-2-ene-4,11-dione, 2-amino-6,12-bis(6-bromo-1H-indol-3-yl)-9-imino-1,8,10-trimethyl-, conjugate monoacid, (6R,12S)-\n(6R,12S)-9-Amino-6,12-bis(6-bromo-1H-indol-3-yl)-1,3,8-trimethyl-4,11-dioxo-1,3,8,10-tetraazadispiro[4.1.4.1]dodec-9-en-2-iminium\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'GIIOWAJDQMEYIW-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'NRUKOCRGYNPUPR-DKQCQWADSA-N',
'name': "Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-[[4,6-O-(2-thienylmethylene)-beta-D-glucopyranosyl]oxy]-, (5S,5aR,8aR,9S)-\n(5S,5aR,8aR,9S)-9-(4-Hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-(2-thienylmethylene)-beta-D-glucopyranoside\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'LFXYMUVNQLVMDF-QCVIXQMPSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'YXJMPPIPGTWBHE-YNOBPPCASA-N',
'name': "Dispiro[imidazolidine-4,1'-[1H]carbazole-3'(2'H),4''-imidazolidine]-5,5''-dione, 7'-bromo-2'-(6-bromo-1H-indol-3-yl)-4',9'-dihydro-2,2''-diimino-1,1'',3,3''-tetramethyl-, (2'R,3'R,4S)-\n(2'R,3'R,4S)-7'-Bromo-2'-(6-bromo-1H-indol-3-yl)-2,2''-diimino-1,1'',3,3''-tetramethyl-4',9'-dihydro-5H,5''H-dispiro[imidazolidine-4,1'-carbazole-3',4''-imidazolidine]-5,5''-dione\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'NCXMLFZGDNKEPB-RNAPBSOWSA-N',
'name': '6,11,28-Trioxatricyclo[22.3.1.0~5,7~]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid, 22-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,26-trihydroxy-12-methyl-10-oxo-, (1R,3S,5R,7R,8E,12R,14E,16E,18E,20E,22R,24S,25R,26S)-\n(1R,3S,5R,7R,8E,12R,14E,16E,18E,20E,22R,24S,25R,26S)-22-[(3-Amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,26-trihydroxy-12-methyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.0~5,7~]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'BVEAURKQZJUQEC-RBLZYIOCSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'KLXDQPPPPSDDBD-QBAJSVGUSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'FGDMOZHFYJSAKP-LFAGQLNKSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'DUKFQTJTBSIGQL-MWCSACOMSA-N',
'name': '(2R,3R,5S,6R)-2,3,4,5,6-Pentahydroxycyclohexyl 2-({N-acetyl-S-[(2,5,6-trimethyl-1,7-dioxo-1H,7H-pyrazolo[1,2-a]pyrazol-3-yl)methyl]-L-cysteinyl}amino)-2-deoxy-alpha-D-glucopyranoside\nalpha-D-Glucopyranoside, (2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl 2-[[(2R)-2-(acetylamino)-1-oxo-3-[[(2,5,6-trimethyl-1,7-dioxo-1H,7H-pyrazolo[1,2-a]pyrazol-3-yl)methyl]thio]propyl]amino]-2-deoxy-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'OSIOUSNLYOATQC-GHQHJQBOSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ALFGKGZXMIJVQE-INARCNGISA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'BNTSRXHBAPIDEL-CAUDNMROSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'BNTSRXHBAPIDEL-VSEALTKDSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'RWKUXQNLWDTSLO-NHQGMKOOSA-N',
'name': 'Ethanaminium, 2-[[hydroxy[[(4E)-3-hydroxy-2-[(1-oxohexadecyl)amino]-4-octadecen-1-yl]oxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt\n(4E)-3-Hydroxy-2-(palmitoylamino)-4-octadecen-1-yl 2-(trimethylammonio)ethyl phosphate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'HZJCKRHOOOUIAI-UHFFFAOYSA-N',
'name': '(4S)-4-[(Z)-{(4S)-4-[(Z)-{(4S)-4-[(4-{[(2-Amino-4-oxido-6-pteridinyl)methyl]amino}benzoyl)amino]-4-carboxy-1-oxidanidylbutylidene}amino]-4-carboxy-1-oxidanidylbutylidene}amino]-4-carboxypentanoate (non-preferred name)\nL-Glutamic acid, N-[(4S)-4-carboxy-4-[[(1Z,4S)-4-carboxy-4-[[4-[[(1,2-dihydro-4-hydroxy-2-imino-6-pteridinyl)methyl]amino]benzoyl]amino]-1-hydroxybutylidene]amino]-1-hydroxybutylidene]-2-methyl-, ion(4-), (Z)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'OPUAEJCZYCQMBM-WCMAEHKESA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'XYLWKHKCYHMVMA-UHFFFAOYSA-N',
'name': '(2S,3R)-3-Hydroxy-2-[(9Z)-9-octadecenoylamino]octadecyl 2-(trimethylammonio)ethyl phosphate\nEthanaminium, 2-[[hydroxy[[(2S,3R)-3-hydroxy-2-[[(9Z)-1-oxo-9-octadecen-1-yl]amino]octadecyl]oxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'LWJQXNNLBXWBCY-HLESRZNKSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'VOHAPZCYHVKGHA-ZSIBMOKUSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'HOGXLCQSFFZHQZ-UHFFFAOYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'WSMYBUVBFWDMEC-PTXCXGNASA-N',
'name': '2-[(7E,10E)-7,10-Hexadecadienoyloxy]-3-(hexopyranosyloxy)propyl (9E,12E,15E)-9,12,15-octadecatrienoate\n9,12,15-Octadecatrienoic acid, 3-(hexopyranosyloxy)-2-[[(7E,10E)-1-oxo-7,10-hexadecadien-1-yl]oxy]propyl ester, (9E,12E,15E)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'DVRKGRMGQJLNPC-BAYANWAKSA-N',
'name': '2-[(7E,10E,13E)-7,10,13-Hexadecatrienoyloxy]-3-(hexopyranosyloxy)propyl (9E,12E)-9,12-octadecadienoate\n9,12-Octadecadienoic acid, 3-(hexopyranosyloxy)-2-[[(7E,10E,13E)-1-oxo-7,10,13-hexadecatrien-1-yl]oxy]propyl ester, (9E,12E)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'DJVQAKQVQXIHEL-DVMOTSDHSA-N',
'name': '2-[(7E,10E)-7,10-Hexadecadienoyloxy]-3-(hexopyranosyloxy)propyl (9E,12E)-9,12-octadecadienoate\n9,12-Octadecadienoic acid, 3-(hexopyranosyloxy)-2-[[(7E,10E)-1-oxo-7,10-hexadecadien-1-yl]oxy]propyl ester, (9E,12E)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ULEDCQDCQAHGFD-CSWOMGMFSA-N',
'name': '2-[(7E,10E,13E)-7,10,13-Hexadecatrienoyloxy]-3-(hexopyranosyloxy)propyl (9E)-9-octadecenoate\n9-Octadecenoic acid, 3-(hexopyranosyloxy)-2-[[(7E,10E,13E)-1-oxo-7,10,13-hexadecatrien-1-yl]oxy]propyl ester, (9E)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'SYSPLJXKZRPIPM-XQCFCDRBSA-N',
'name': '2-[(7E)-7-Hexadecenoyloxy]-3-(hexopyranosyloxy)propyl (9E,12E,15E)-9,12,15-octadecatrienoate\n9,12,15-Octadecatrienoic acid, 3-(hexopyranosyloxy)-2-[[(7E)-1-oxo-7-hexadecen-1-yl]oxy]propyl ester, (9E,12E,15E)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'SFKZPPODZMCLPE-MDSJDZSYSA-N',
'name': '9-Octadecenoic acid, 3-(hexopyranosyloxy)-2-[[(7E,10E)-1-oxo-7,10-hexadecadien-1-yl]oxy]propyl ester, (9E)-\n2-[(7E,10E)-7,10-Hexadecadienoyloxy]-3-(hexopyranosyloxy)propyl (9E)-9-octadecenoate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'HGHVCQZWRZWQKS-YZWRBCRFSA-N',
'name': '2-[(7E)-7-Hexadecenoyloxy]-3-(hexopyranosyloxy)propyl (9E,12E)-9,12-octadecadienoate\n9,12-Octadecadienoic acid, 3-(hexopyranosyloxy)-2-[[(7E)-1-oxo-7-hexadecen-1-yl]oxy]propyl ester, (9E,12E)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'OYPVEICJGOKWFP-SVNQLWEDSA-N',
'name': '9,12,15-Octadecatrienoic acid, 3-(hexopyranosyloxy)-2-[(1-oxohexadecyl)oxy]propyl ester, (9E,12E,15E)-\n3-(Hexopyranosyloxy)-2-(palmitoyloxy)propyl (9E,12E,15E)-9,12,15-octadecatrienoate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'QOCWWAJCODFCIV-KFUPZDRLSA-N',
'name': '3-(Hexopyranosyloxy)-2-(palmitoyloxy)propyl (9E,12E)-9,12-octadecadienoate\n9,12-Octadecadienoic acid, 3-(hexopyranosyloxy)-2-[(1-oxohexadecyl)oxy]propyl ester, (9E,12E)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'RVTDOBUXLKASID-AUIMQSQNSA-N',
'name': '2-[(7E)-7-Hexadecenoyloxy]-3-(hexopyranosyloxy)propyl (9E)-9-octadecenoate\n9-Octadecenoic acid, 3-(hexopyranosyloxy)-2-[[(7E)-1-oxo-7-hexadecen-1-yl]oxy]propyl ester, (9E)-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'SYHNGIDZSPMVHV-PYABMYGPSA-N',
'name': "(1S,1'S,2S,2'S,3S,3'S,11R,11'R,14R,14'R)-2,2'-Dihydroxy-14-[(1R)-1-hydroxyethyl]-14'-[(1S)-1-hydroxyethyl]-18,18'-dimethyl-3,3'-bi(15,16-dithia-10,12,18-triazapentacyclo[12.2.2.0~1,12~.0~3,11~.0~4,9~]octadecane)-4,4',6,6',8,8'-hexaene-13,13',17,17'-tetrone\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'JBZBYHKCRFIXBI-CWBXZPJFSA-N',
'name': '9-Octadecenoic acid, (2S)-3-(alpha-D-galactopyranosyloxy)-2-[(1-oxohexadecyl)oxy]propyl ester, (9Z)-\n(2S)-3-(alpha-D-Galactopyranosyloxy)-2-(palmitoyloxy)propyl (9Z)-9-octadecenoate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'YNIWMLHSONPLJN-MTGWBXQUSA-N',
'name': "alpha-L-Galactopyranoside, (3R,3'E)-3',4'-didehydro-1',2'-dihydro-1',3-dihydroxy-beta,psi-caroten-2'-yl 6-deoxy-2,4-di-O-methyl-\n(3R,3'E)-1',3-Dihydroxy-3',4'-didehydro-1',2'-dihydro-beta,psi-caroten-2'-yl 6-deoxy-2,4-di-O-methyl-alpha-L-galactopyranoside\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'DSANZEHUTZKIEB-LHONBJHYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'CPAPOMBQCWDUMV-UHFFFAOYSA-N',
'name': 'L-gamma-Glutamyl-L-gamma-glutamyl-L-gamma-glutamyl-N-[2-(4-{[5-(aminomethyl)-3-furyl]methoxy}phenyl)ethyl]-L-glutamine\nL-Glutamine, L-gamma-glutamyl-L-gamma-glutamyl-L-gamma-glutamyl-N-[2-[4-[[5-(aminomethyl)-3-furanyl]methoxy]phenyl]ethyl]-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'HZKBHRZARZUXPO-VYIQYICTSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'GBABOYUKABKIAF-YJKDAKGKSA-N',
'name': 'Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-15-[(6R,8S)-4-ethyl-1,3,6,7,8,9-hexahydro-8-(methoxycarbonyl)-2,6-methano-2H-azecino[4,3-b]indol-8-yl]-3-hydroxy-16-methoxy-1-methyl-, methyl ester, (2beta,3beta,4beta,5alpha)-\nMethyl (2beta,3beta,4beta,5alpha)-4-acetoxy-15-[(12S,14R)-16-ethyl-12-(methoxycarbonyl)-1,10-diazatetracyclo[12.3.1.0~3,11~.0~4,9~]octadeca-3(11),4,6,8,15-pentaen-12-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'PFWZPGMLARSXSL-XEKZTXPJSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'QFDYIDGUKXRPKH-WYJSFBTQSA-N',
'name': '(18E,21E,24E)-4-Hydroxy-N,N,N-trimethyl-7-[(9E,12E)-9,12-octadecadienoyloxy]-10-oxo-3,5,9-trioxa-4-phosphaheptacosa-18,21,24-trien-1-aminium 4-oxide\nEthanaminium, 2-[[hydroxy[2-[[(9E,12E)-1-oxo-9,12-octadecadien-1-yl]oxy]-3-[[(9E,12E,15E)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'HZGAVPNEGHQJID-OFWSBFIXSA-N',
'name': '(18E,21E)-4-Hydroxy-N,N,N-trimethyl-7-[(9E,12E,15E)-9,12,15-octadecatrienoyloxy]-10-oxo-3,5,9-trioxa-4-phosphaheptacosa-18,21-dien-1-aminium 4-oxide\nEthanaminium, 2-[[hydroxy[3-[[(9E,12E)-1-oxo-9,12-octadecadien-1-yl]oxy]-2-[[(9E,12E,15E)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'LPDGUCIMNBNWEJ-ZMYGKXSHSA-N',
'name': '(2R)-3-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-2-[(9Z)-9-octadecenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate\nEthanaminium, 2-[[hydroxy[(2R)-3-[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]-2-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ZLPIAMWUFCRMLD-QLXQAIRQSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'RTAZWRZKFSTMOY-UQNIBARNSA-N',
'name': 'Ethanaminium, 2-[[hydroxy[3-[[(9E,12E)-1-oxo-9,12-octadecadien-1-yl]oxy]-2-[[(9E)-1-oxo-9-octadecen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-\n(18E,21E)-4-Hydroxy-N,N,N-trimethyl-7-[(9E)-9-octadecenoyloxy]-10-oxo-3,5,9-trioxa-4-phosphaheptacosa-18,21-dien-1-aminium 4-oxide\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'YEZHYICNKIZGBB-MCJPIGCNSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'FRMJXPCHGMQHNY-YTWBPVBXSA-N',
'name': "3-{[5-Hydroperoxy-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-1,2-propanediyl (9E,12E,15E,9'E,12'E,15'E)bis(-9,12,15-octadecatrienoate)\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ZOXXEOPHAYLXLA-DYXXURTGSA-N',
'name': '1-{[5-Hydroperoxy-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-3-[(9E,12E)-9,12-octadecadienoyloxy]-2-propanyl (9E,12E,15E)-9,12,15-octadecatrienoate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'JTWKWNXNWBUCJP-LOYOHVQTSA-N',
'name': '3-{[5-Hydroperoxy-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-[(9E,12E)-9,12-octadecadienoyloxy]propyl (9E,12E,15E)-9,12,15-octadecatrienoate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'JHUJPKVBFXKXPT-MAZCIEHSSA-N',
'name': "3-{[5-Hydroperoxy-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-1,2-propanediyl (9E,12E,9'E,12'E)bis(-9,12-octadecadienoate)\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'YTEOURFJYRYLNY-VJWYIZQDSA-N',
'name': "(3S,5aR,10bS,11S,11aS)-11-Hydroxy-10b-[(3S,5aS,10bR,11S,11aS)-11-hydroxy-3-(hydroxymethyl)-2-methyl-3,11a-bis(methylsulfanyl)-1,4-dioxo-1,2,3,4,5a,6,11,11a-octahydro-10bH-pyrazino[1',2':1,5]pyrrolo[2,3-b]indol-10b-yl]-3-isopropyl-2-methyl-3,11a-bis(methylsulfanyl)-6,10b,11,11a-tetrahydro-2H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione\n2H-Pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione, 6,10b,11,11a-tetrahydro-11-hydroxy-3-(hydroxymethyl)-2-methyl-3,11a-bis(methylthio)-10b-[(3S,5aR,10bS,11S,11aS)-1,2,3,4,5a,6,11,11a-octahydro-11-hydroxy-2-methyl-3-(1-methylethyl)-3,11a-bis(methylthio)-1,4-dioxo-10bH-pyrazino[1',2':1,5]pyrrolo[2,3-b]indol-10b-yl]-, (3S,5aS,10bR,11S,11aS)-\n"},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'BSJYVSJVSCNAMN-VBJJEHBKSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'RNGKHZPXUIWJKS-ICMWVQSYSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'KBFFMOUGPCKKNN-QWRCKZSHSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'RFISTGNMPQFAGY-PITZWMLNSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'STRLTNHXYYRBAL-QYKSGGSCSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'STYROSBXCMJWTP-FSZVMMKHSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'ZHVYBACNVPPTJZ-CPLSYVNBSA-N',
'name': ''},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'LCMPYUOLUKQMGX-QZQOTICOSA-N',
'name': '9-Octadecenoic acid, 1-[8-oxo-8-[[1-(6-oxoheptyl)decyl]oxy]octyl]decyl ester, (9E)-\n1-Oxo-1-[(2-oxo-8-heptadecanyl)oxy]-9-octadecanyl (9E)-9-octadecenoate\n'},
{'description': 'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'inchi': '',
'inchi_key': 'AGVZEKVPTJUMGS-UHFFFAOYSA-N',
'name': ''}]
In [14]:
for c in new_compounds:
myInChI = str(c['inchi'])#'InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/i1D,2D,3D,4D,5D'
if myInChI:
myMol = Chem.MolFromInchi(myInChI.strip())
# print c
# print "mol = ",myMol
print c['name']," ",Descriptors.ExactMolWt(myMol), " ",rdMolDescriptors.CalcMolFormula(myMol)
else:
print "not found"
6H-Purin-6-imine, 1,9-dihydro-1-hydroxy-9-pentofuranosyl-, (6Z)-
(6Z)-6-Imino-9-pentofuranosyl-6,9-dihydro-1H-purin-1-ol
283.091668516 C10H13N5O5
1,7,7-Trimethylbicyclo[2.2.1]heptane-2,6-dione
Bicyclo[2.2.1]heptane-2,6-dione, 1,7,7-trimethyl-
166.099379688 C10H14O2
8H-2-Benzopyran-8-one, 3,4,4a,5,6,7-hexahydro-1-hydroxy-3-methyl-
1-Hydroxy-3-methyl-3,4,4a,5,6,7-hexahydro-8H-isochromen-8-one
182.094294308 C10H14O3
1,7,7-Trimethyltricyclo[2.2.1.0~2,6~]heptane
Tricyclo[2.2.1.0~2,6~]heptane, 1,7,7-trimethyl-
136.125200512 C10H16
3-Aminopropanoyl 1-methyl-L-histidinate
240.122240372 C10H16N4O3
1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane
2-Oxabicyclo[2.2.2]octane, 1,3,3-trimethyl-
154.135765196 C10H18O
Methyl (2E)-2-[(1,4-dioxido-2-quinoxalinyl)methylene]hydrazinecarboxylate
Hydrazinecarboxylic acid, 2-[(1,4-dioxido-2-quinoxalinyl)methylene]-, methyl ester, (2E)-
262.0702048 C11H10N4O4
2,3,5,8-Tetrahydroxy-6-methyl-1,4-naphthoquinone
1,4-Naphthalenedione, 2,3,5,8-tetrahydroxy-6-methyl-
236.032087976 C11H8O6
3-Pyridinol, 6-methyl-2-(2-phenyldiazenyl)-
6-Methyl-2-(phenyldiazenyl)-3-pyridinol
213.090211972 C12H11N3O
1-Methyl-4,9-dihydro-3H-beta-carboline
3H-Pyrido[3,4-b]indole, 4,9-dihydro-1-methyl-
184.100048384 C12H12N2
(1r,3R,5S,7r)-3,5-Dimethyl-1-adamantanamine
Tricyclo[3.3.1.1~3,7~]decan-1-amine, 3,5-dimethyl-, (3R,5S)-
179.167399672 C12H21N
2H-Pyrido[3,4-b]indole-1-carboxylic acid, methyl ester
Methyl 2H-beta-carboline-1-carboxylate
226.07422756 C13H10N2O2
2-[(4-Hydroxyphenyl)diazenyl]benzoic acid
Benzoic acid, 2-[2-(4-hydroxyphenyl)diazenyl]-
242.06914218 C13H10N2O3
N-Methyl-2H-beta-carboline-3-carboxamide
2H-Pyrido[3,4-b]indole-3-carboxamide, N-methyl-
225.090211972 C13H11N3O
N'-(2-Hydroxybenzylidene)isonicotinohydrazide
4-Pyridinecarboxylic acid, 2-[(2-hydroxyphenyl)methylene]hydrazide
241.085126592 C13H11N3O2
Furo[2,3-b]quinolin-7-ol, 4,8-dimethoxy-
4,8-Dimethoxyfuro[2,3-b]quinolin-7-ol
245.068807832 C13H11NO4
3H-Pyrido[3,4-b]indole, 4,9-dihydro-6-methoxy-1-methyl-
6-Methoxy-1-methyl-4,9-dihydro-3H-beta-carboline
214.110613068 C13H14N2O
(3R,4S)-8-Hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid
3H-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, (3R,4S)-
250.084123548 C13H14O5
4(3H)-Quinazolinone, 2-(2-hydroxyphenyl)-
2-(2-Hydroxyphenyl)-4(1H)-quinazolinone
238.07422756 C14H10N2O2
4-Methoxy-1-vinyl-2H-beta-carboline
2H-Pyrido[3,4-b]indole, 1-ethenyl-4-methoxy-
224.094963004 C14H12N2O
2H-Pyrido[3,4-b]indole-3-carboxylic acid, ethyl ester
Ethyl 2H-beta-carboline-3-carboxylate
240.089877624 C14H12N2O2
4-Pyridinecarboxylic acid, 2-[(4-hydroxy-3-methoxyphenyl)methylene]hydrazide
N'-(4-Hydroxy-3-methoxybenzylidene)isonicotinohydrazide
271.095691276 C14H13N3O3
5'-O-{[(2S)-2-Amino-3-carboxypropoxy](hydroxy)phosphoryl}adenosine
Adenosine, 5'-O-[[(2S)-2-amino-3-carboxypropoxy]hydroxyphosphinyl]-
448.110762882 C14H21N6O9P
2,3,4,5,6-Pentahydroxycyclohexyl 2-acetamido-2-deoxyhexopyranoside
Hexopyranoside, 2,3,4,5,6-pentahydroxycyclohexyl 2-(acetylamino)-2-deoxy-
383.14276062 C14H25NO11
6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one, 11-hydroxy-
11-Hydroxy-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one
236.058577496 C14H8N2O2
6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one, 5-hydroxy-4-methoxy-
5-Hydroxy-4-methoxy-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one
266.06914218 C15H10N2O3
5,7-Dihydroxy-2-(4-hydroxyphenyl)chromenium
1-Benzopyrylium, 5,7-dihydroxy-2-(4-hydroxyphenyl)-
254.0579088 C15H10O4
1,4-Naphthalenedione, 2-hydroxy-3-(3-methyl-2-buten-1-yl)-
2-Hydroxy-3-(3-methyl-2-buten-1-yl)-1,4-naphthoquinone
242.094294308 C15H14O3
(12xi)-Trichothec-9-ene
Trichothec-9-ene, (2alpha,12xi)-
220.182715388 C15H24O
(2Z)-5-(2,3-Dimethyltricyclo[2.2.1.0~2,6~]hept-3-yl)-2-methyl-2-penten-1-ol
2-Penten-1-ol, 5-(2,3-dimethyltricyclo[2.2.1.0~2,6~]hept-3-yl)-2-methyl-, (2Z)-
220.182715388 C15H24O
N~5~-[Amino(sulfoamino)phosphoryl]-L-ornithyl-L-alanyl-N~6~-carbamimidoyl-L-lysine
L-Lysine, N~5~-[amino(sulfoamino)phosphinyl]-L-ornithyl-L-alanyl-N~6~-(aminoiminomethyl)-
531.198866678 C15H34N9O8PS
354.99563866 C16H10BrN3O2
3H-Indol-3-one, 2-(2-hydroxy-1H-indol-3-yl)-
2'-Hydroxy-1'H,3H-2,3'-biindol-3-one
262.07422756 C16H10N2O2
3H-1,4-Benzodiazepin-2-amine, 7-chloro-N-methyl-5-phenyl-, 4-oxide
7-Chloro-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine 4-oxide
(2Z)-7-Chloro-N-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-imine 4-oxide
Methanamine, N-[(2Z)-7-chloro-1,3-dihydro-4-oxido-5-phenyl-2H-1,4-benzodiazepin-2-ylidene]-
299.082539748 C16H14ClN3O
4-Hydroxy-3-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-6-methyl-2H-pyran-2-one
2H-Pyran-2-one, 4-hydroxy-3-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-6-methyl-
302.079038168 C16H14O6
Methanol, 1-[2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3(4H)-pyridinylidene]-1-methoxy-, (E)-
(E)-{2,6-Dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3(4H)-pyridinylidene}(methoxy)methanol
356.09839162 C16H15F3N2O4
(Z)-{2,6-Dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3(4H)-pyridinylidene}(methoxy)methanol
Methanol, 1-[2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3(4H)-pyridinylidene]-1-methoxy-, (Z)-
356.09839162 C16H15F3N2O4
Azirino[2',3':3,4]pyrrolo[1,2-a]indol-7(1H)-one, 8-[[(aminocarbonyl)oxy]methyl]-1a,2,6,8,8a,8b-hexahydro-4-hydroxy-6-imino-8a-methoxy-1,5-dimethyl-
(4-Hydroxy-6-imino-8a-methoxy-1,5-dimethyl-7-oxo-1,1a,2,6,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl carbamate
348.14336974 C16H20N4O5
Hydrazinecarboximidamide, 2-[(5-methoxy-1H-indol-3-yl)methylene]-N-pentyl-
2-[(5-Methoxy-1H-indol-3-yl)methylene]-N-pentylhydrazinecarboximidamide
301.190260356 C16H23N5O
5-({4-[(2-Carboxyethyl)carbamoyl]phenyl}diazenyl)-2-hydroxybenzoic acid
Benzoic acid, 5-[2-[4-[[(2-carboxyethyl)amino]carbonyl]phenyl]diazenyl]-2-hydroxy-
357.0960852 C17H15N3O6
5-Phenyl-1,3,6,7,8,9-hexahydro-2H-[1]benzothieno[2,3-e][1,4]diazepin-2-one
2H-[1]Benzothieno[2,3-e]-1,4-diazepin-2-one, 1,3,6,7,8,9-hexahydro-5-phenyl-
296.098334132 C17H16N2OS
3-Pyridinecarboxylic acid, 4,5-dihydro-5-(hydroxymethoxymethylene)-2,6-dimethyl-4-(2-nitrophenyl)-, methyl ester, (5Z)-
Methyl (5Z)-5-[hydroxy(methoxy)methylene]-2,6-dimethyl-4-(2-nitrophenyl)-4,5-dihydro-3-pyridinecarboxylate
346.116486296 C17H18N2O6
10H-Thieno[2,3-b][1,5]benzodiazepine, 2-methyl-4-(4-methyl-1-piperazinyl)-
2-Methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepine
312.14086764 C17H20N4S
Benzeneacetic acid, alpha-(hydroxymethyl)-, (1R,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl ester, (alphaS)-
(1R,5S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl (2S)-3-hydroxy-2-phenylpropanoate
303.147058152 C17H21NO4
Benzeneacetic acid, alpha-(hydroxymethyl)-, 9-methyl-9-oxido-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl ester
9-Methyl-9-oxido-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl tropate
319.141972772 C17H21NO5
(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate
Benzeneacetic acid, alpha-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (alphaS)-
289.167793596 C17H23NO3
Benzeneacetic acid, alpha-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl tropate
289.167793596 C17H23NO3
3-[4-({[trans-4-(Aminomethyl)cyclohexyl]carbonyl}oxy)phenyl]propanoic acid
Benzenepropanoic acid, 4-[[[trans-4-(aminomethyl)cyclohexyl]carbonyl]oxy]-
305.162708216 C17H23NO4
3-[4-({[trans-4-(Aminomethyl)cyclohexyl]carbonyl}oxy)phenyl]propanoic acid
Benzenepropanoic acid, 4-[[[trans-4-(aminomethyl)cyclohexyl]carbonyl]oxy]-
305.162708216 C17H23NO4
1H-Benzo[b]fluorene-11-diazonium, 2,3,4,9-tetrahydro-1,2,3,4,5,10-hexahydroxy-2-methyl-9-oxo-, inner salt
11-Diazonio-1,2,3,4,10-pentahydroxy-2-methyl-9-oxo-2,3,4,9-tetrahydro-1H-benzo[b]fluoren-5-olate
370.080100788 C18H14N2O7
398.068490548 C18H14N4O5S
2-Hydroxy-5-{(E)-[4-(2-pyridinylsulfamoyl)phenyl]diazenyl}benzoic acid
Benzoic acid, 2-hydroxy-5-[(E)-2-[4-[(2-pyridinylamino)sulfonyl]phenyl]diazenyl]-
398.068490548 C18H14N4O5S
(9bR)-2,6-Diacetyl-1,7,9-trihydroxy-8,9b-dimethyldibenzo[b,d]furan-3(9bH)-one
3(9bH)-Dibenzofuranone, 2,6-diacetyl-1,7,9-trihydroxy-8,9b-dimethyl-, (9bR)-
344.089602852 C18H16O7
Methyl 4-(2,3-dichlorophenyl)-5-[ethoxy(hydroxy)methylene]-2,6-dimethyl-4,5-dihydro-3-pyridinecarboxylate
3-Pyridinecarboxylic acid, 4-(2,3-dichlorophenyl)-5-(ethoxyhydroxymethylene)-4,5-dihydro-2,6-dimethyl-, methyl ester
383.069113448 C18H19Cl2NO4
8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine
5H-Dibenzo[b,e][1,4]diazepine, 8-chloro-11-(4-methyl-1-piperazinyl)-
326.129824288 C18H19ClN4
Methyl (5Z)-5-[ethoxy(hydroxy)methylene]-2,6-dimethyl-4-(3-nitrophenyl)-4,5-dihydro-3-pyridinecarboxylate
3-Pyridinecarboxylic acid, 5-(ethoxyhydroxymethylene)-4,5-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl ester, (5Z)-
360.13213636 C18H20N2O6
Benzoic acid, 2-(1,4-dihydro-3,5-dihydroxy-1,4-dioxo-2-naphthalenyl)-3-methoxy-5-methyl-
2-(3,5-Dihydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-3-methoxy-5-methylbenzoic acid
354.073952788 C19H14O7
2-Hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one
4H-1-Benzopyran-4-one, 2-hydroxy-3-(3-oxo-1-phenylbutyl)-
308.104858992 C19H16O4
(1r,3R,5r,7S)-10-Oxo-8-azatricyclo[5.3.1.0~3,8~]undec-5-yl 1H-indole-3-carboxylate
1H-Indole-3-carboxylic acid, (6R,9aS)-octahydro-3-oxo-2,6-methano-2H-quinolizin-8-yl ester
324.1473925 C19H20N2O3
Isopropyl (5Z)-4-(2,1,3-benzoxadiazol-4-yl)-5-[hydroxy(methoxy)methylene]-2,6-dimethyl-4,5-dihydro-3-pyridinecarboxylate
3-Pyridinecarboxylic acid, 4-(2,1,3-benzoxadiazol-4-yl)-4,5-dihydro-5-(hydroxymethoxymethylene)-2,6-dimethyl-, 1-methylethyl ester, (5Z)-
371.148120772 C19H21N3O5
N-[(trans-4-Isopropylcyclohexyl)carbonyl]-D-phenylalanine
D-Phenylalanine, N-[[trans-4-(1-methylethyl)cyclohexyl]carbonyl]-
317.199093724 C19H27NO3
(1R,4R,5S)-1-[(1R)-2-Cyclohexen-1-ylmethyl]-4-hexyl-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
6-Oxa-2-azabicyclo[3.2.0]heptane-3,7-dione, 1-[(1R)-2-cyclohexen-1-ylmethyl]-4-hexyl-5-methyl-, (1R,4R,5S)-
319.214743788 C19H29NO3
(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl myristate
Tetradecanoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-(hydroxymethyl)ethyl ester
425.25423925 C19H40NO7P
7-Hydroxy-8,12-dihydro-1H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-1,3,10(2H,9H)-trione
1H-Indolo[2,3-a]pyrrolo[3,4-c]carbazole-1,3,10(2H,9H)-trione, 8,12-dihydro-7-hydroxy-
357.074955832 C20H11N3O4
4-[4-(4-Fluorophenyl)-5-(4-pyridinyl)-1H-imidazol-2-yl]phenol
Phenol, 4-[5-(4-fluorophenyl)-4-(4-pyridinyl)-1H-imidazol-2-yl]-
331.112090288 C20H14FN3O
1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4,10-dihydroxy-, (4S)-
(4S)-4-Ethyl-4,10-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
364.105921612 C20H16N2O5
(6aR,10Z,11aS,11bR)-10-(1-Hydroxyethylidene)-7,7-dimethyl-6a,7,11a,11b-tetrahydro-6H-pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indole-9,11(2H,10H)-dione
6H-Pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indole-9,11(2H,10H)-dione, 6a,7,11a,11b-tetrahydro-10-(1-hydroxyethylidene)-7,7-dimethyl-, (6aR,10Z,11aS,11bR)-
336.1473925 C20H20N2O3
trans-4-[({[(4-Methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl]amino]methyl]-, trans-
373.152537456 C20H23NO6
trans-4-[({2-[(2-Oxo-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[1-oxo-2-[(2-oxo-2H-1-benzopyran-7-yl)oxy]propyl]amino]methyl]-, trans-
373.152537456 C20H23NO6
3-Pyridinecarboxylic acid, 6-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-5-(ethoxyhydroxymethylene)-4,5-dihydro-2-methyl-, methyl ester, (5Z)-
Methyl (5Z)-6-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-5-[ethoxy(hydroxy)methylene]-2-methyl-4,5-dihydro-3-pyridinecarboxylate
408.14519958 C20H25ClN2O5
Methyl (2E,4R,5S,6E)-7-(2'-isopropyl-2,4'-bi-1,3-thiazol-4-yl)-3,5-dimethoxy-4-methyl-2,6-heptadienoate
2,6-Heptadienoic acid, 3,5-dimethoxy-4-methyl-7-[2'-(1-methylethyl)[2,4'-bithiazol]-4-yl]-, methyl ester, (2E,4R,5S,6E)-
422.133399312 C20H26N2O4S2
trans-N-(1,3-Benzodioxol-5-yl)-4-[(L-methionylamino)methyl]cyclohexanecarboxamide
Cyclohexanecarboxamide, 4-[[[(2S)-2-amino-4-(methylthio)-1-oxobutyl]amino]methyl]-N-1,3-benzodioxol-5-yl-, trans-
407.187877408 C20H29N3O4S
4-[3,5-Bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]benzoic acid
Benzoic acid, 4-[3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]-
373.10625596 C21H15N3O4
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-chromeniumyl beta-D-glucopyranoside
beta-D-Glucopyranoside, 5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium-3-yl
432.10564684 C21H20O10
2-(3,4-Dihydroxyphenyl)-7-hydroxy-5-chromeniumyl beta-D-glucopyranoside
beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzopyrylium-5-yl
432.10564684 C21H20O10
3(2H)-Benzofuranone, 2-[(3,4-dihydroxyphenyl)methylene]-6-(beta-D-glucopyranosyloxy)-4-hydroxy-, (2Z)-
(2Z)-2-(3,4-Dihydroxybenzylidene)-4-hydroxy-3-oxo-2,3-dihydro-1-benzofuran-6-yl beta-D-glucopyranoside
448.10056146 C21H20O11
beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl, inner salt
2-(3,4-Dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-7-hydroxy-5-chromeniumolate
448.10056146 C21H20O11
beta-D-Galactopyranoside, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl, inner salt
2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-7-hydroxy-5-chromeniumolate
448.10056146 C21H20O11
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl beta-D-glucofuranoside
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-
464.09547608 C21H20O12
5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-chromeniumyl beta-D-glucopyranoside
beta-D-Glucopyranoside, 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium-3-yl
464.09547608 C21H20O12
416.11073222 C21H20O9
trans-4-[({2-[(6-Chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[2-[(6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-
421.129215168 C21H24ClNO6
Cyclohexanecarboxylic acid, 4-[[[2-[(4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]acetyl]amino]methyl]-, trans-
trans-4-[({[(4,7-Dimethyl-2-oxo-2H-chromen-5-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid
387.16818752 C21H25NO6
trans-4-[({2-[(4-Methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-
387.16818752 C21H25NO6
Cyclohexanecarboxylic acid, 4-[[[2-[(4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl]amino]methyl]-, trans-
trans-4-[({[(4,8-Dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid
387.16818752 C21H25NO6
trans-4-[({[(4-Ethyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[2-[(4-ethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl]amino]methyl]-, trans-
387.16818752 C21H25NO6
Isopropyl (5Z)-5-[hydroxy(2-methoxyethoxy)methylene]-2,6-dimethyl-4-(3-nitrophenyl)-4,5-dihydro-3-pyridinecarboxylate
3-Pyridinecarboxylic acid, 4,5-dihydro-5-[hydroxy(2-methoxyethoxy)methylene]-2,6-dimethyl-4-(3-nitrophenyl)-, 1-methylethyl ester, (5Z)-
418.174001172 C21H26N2O7
2,5-Cyclohexadiene-1,4-dione, 5-amino-3-[[(1R,2S,4aS,8aS)-decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl]methyl]-2-hydroxy-
5-Amino-2-hydroxy-3-{[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylenedecahydro-1-naphthalenyl]methyl}-1,4-benzoquinone
343.214743788 C21H29NO3
2,5-Cyclohexadien-1-one, 3,4,5-trihydroxy-2,4-bis(3-methyl-2-buten-1-yl)-6-(3-methyl-1-oxobutyl)-, (4R)-
(4R)-3,4,5-Trihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methyl-2-buten-1-yl)-2,5-cyclohexadien-1-one
362.20932406 C21H30O5
Cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione, 8-(2-amino-3,6-dihydro-6-oxo-7H-purin-7-yl)-2,3,6a,8,9,9a-hexahydro-9-hydroxy-4-methoxy-
8-(2-Amino-6-oxo-3,6-dihydro-7H-purin-7-yl)-9-hydroxy-4-methoxy-2,3,6a,8,9,9a-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione
479.107712504 C22H17N5O8
Spiro[furan-2(5H),9'-[9H]imidazo[1,2-a]indole]-3',5(2'H)-dione, 1',3,4,9'a-tetrahydro-1'-hydroxy-2'-methyl-4-(4-oxo-3(4H)-quinazolinyl)-
1'-Hydroxy-2'-methyl-4-(4-oxo-3(4H)-quinazolinyl)-1',9a'-dihydro-3H-spiro[furan-2,9'-imidazo[1,2-a]indole]-3',5(2'H,4H)-dione
418.127719676 C22H18N4O5
1,4-Naphthalenedione, 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-
2-[trans-4-(4-Chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthoquinone
366.102272148 C22H19ClO3
4-(Dimethylamino)-1,5,6,10,12,12a-hexahydroxy-6-methyl-3,11-dioxo-3,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide
2-Naphthacenecarboxamide, 4-(dimethylamino)-3,4,4a,5,5a,6,11,12a-octahydro-1,5,6,10,12,12a-hexahydroxy-6-methyl-3,11-dioxo-
460.148180348 C22H24N2O9
trans-4-[({2-[(6-Chloro-4-ethyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[2-[(6-chloro-4-ethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-
435.144865232 C22H26ClNO6
(1S,9S,11S,19Z,22R)-9,11-Dihydroxy-22-methyl-6,23-dioxa-26-thia-2,17,27-triazatricyclo[17.5.2.1~4,7~]heptacosa-4,7(27),12,14,19-pentaene-3,18,24-trione
6,23-Dioxa-26-thia-2,17,27-triazatricyclo[17.5.2.1~4,7~]heptacosa-4,7(27),12,14,19-pentaene-3,18,24-trione, 9,11-dihydroxy-22-methyl-, (1S,9S,11S,19Z,22R)-
477.156971204 C22H27N3O7S
trans-4-[({2-[(4,7-Dimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[2-[(4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-
401.183837584 C22H27NO6
trans-4-[({[(3,4,7-Trimethyl-2-oxo-2H-chromen-5-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[2-[(3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]acetyl]amino]methyl]-, trans-
401.183837584 C22H27NO6
trans-4-[({[(2-Oxo-4-propyl-2H-chromen-7-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[2-[(2-oxo-4-propyl-2H-1-benzopyran-7-yl)oxy]acetyl]amino]methyl]-, trans-
401.183837584 C22H27NO6
trans-4-[({[(4-Ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[2-[(4-ethyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl]amino]methyl]-, trans-
401.183837584 C22H27NO6
(1R,4S,5R)-4-Hydroxy-4-(2-hydroxyethyl)-1-[(2E,4E,6E,8E,10Z)-2,6,8,10-tetramethyl-2,4,6,8,10-dodecapentaenoyl]-6-oxa-3-azabicyclo[3.1.0]hexan-2-one
6-Oxa-3-azabicyclo[3.1.0]hexan-2-one, 4-hydroxy-4-(2-hydroxyethyl)-1-[(2E,4E,6E,8E,10Z)-2,6,8,10-tetramethyl-1-oxo-2,4,6,8,10-dodecapentaen-1-yl]-, (1R,4S,5R)-
387.204573028 C22H29NO5
2,4,10-Undecatrienamide, 7,9-dimethoxy-3,6,8-trimethyl-11-phenyl-, (2E,4E,6S,7S,8R,9S,10E)-
(2E,4E,6S,7S,8R,9S,10E)-7,9-Dimethoxy-3,6,8-trimethyl-11-phenyl-2,4,10-undecatrienamide
357.230393852 C22H31NO3
2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(3-bromophenyl)-N-[(tetrahydro-2-furanyl)methyl]-
1-(3-Bromophenyl)-N-(tetrahydro-2-furanylmethyl)-2H-beta-carboline-3-carboxamide
449.07388898 C23H20BrN3O2
2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(3-chlorophenyl)-N-[(tetrahydro-2-furanyl)methyl]-
1-(3-Chlorophenyl)-N-(tetrahydro-2-furanylmethyl)-2H-beta-carboline-3-carboxamide
405.12440456 C23H20ClN3O2
2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(4-fluorophenyl)-N-[(tetrahydro-2-furanyl)methyl]-
1-(4-Fluorophenyl)-N-(tetrahydro-2-furanylmethyl)-2H-beta-carboline-3-carboxamide
389.1539551 C23H20FN3O2
trans-4-[({[(6-Oxo-6H-benzo[c]chromen-3-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[2-[(6-oxo-6H-dibenzo[b,d]pyran-3-yl)oxy]acetyl]amino]methyl]-, trans-
409.152537456 C23H23NO6
beta-D-Glucopyranoside, 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyrylium-3-yl
5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-chromeniumyl beta-D-glucopyranoside
492.126776208 C23H24O12
trans-4-[({[(6-Methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[2-[(1,2,3,4-tetrahydro-6-methyl-4-oxobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetyl]amino]methyl]-, trans-
413.183837584 C23H27NO6
trans-4-[({[(7-Methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[2-[(1,2,3,4-tetrahydro-7-methyl-4-oxobenzo[b]cyclopenta[d]pyran-9-yl)oxy]acetyl]amino]methyl]-, trans-
413.183837584 C23H27NO6
trans-4-[({2-[(6-Chloro-2-oxo-4-propyl-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[2-[(6-chloro-2-oxo-4-propyl-2H-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-
449.160515296 C23H28ClNO6
2-Propenamide, 3-[4-[(6-deoxy-beta-D-arabino-hexofuranosyl-5-ulose)oxy]-3-hydroxyphenyl]-N-[(3aS,4R,5R,6S,7R,7aR)-hexahydro-4,6,7-trihydroxy-1,3-benzodioxol-5-yl]-2-methyl-, (2E)-
(2E)-3-{4-[(6-Deoxy-beta-D-arabino-hexofuranosyl-5-ulose)oxy]-3-hydroxyphenyl}-2-methyl-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxyhexahydro-1,3-benzodioxol-5-yl]acrylamide
511.168975368 C23H29NO12
trans-4-[({2-[(3,4,7-Trimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[1-oxo-2-[(3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]propyl]amino]methyl]-, trans-
415.199487648 C23H29NO6
trans-4-[({[(4-Butyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[2-[(4-butyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl]amino]methyl]-, trans-
415.199487648 C23H29NO6
trans-4-[({2-[(2-Oxo-4-propyl-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[1-oxo-2-[(2-oxo-4-propyl-2H-1-benzopyran-7-yl)oxy]propyl]amino]methyl]-, trans-
415.199487648 C23H29NO6
trans-4-[({2-[(4-Ethyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[2-[(4-ethyl-7-methyl-2-oxo-2H-1-benzopyran-5-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-
415.199487648 C23H29NO6
trans-4-[({2-[(4-Ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[2-[(4-ethyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-
415.199487648 C23H29NO6
4,4',4''-(4-Propyl-1H-pyrazole-1,3,5-triyl)triphenol
Phenol, 4,4',4''-(4-propyl-1H-pyrazole-1,3,5-triyl)tris-
386.163042564 C24H22N2O3
1-(2-Methylphenyl)-N-(tetrahydro-2-furanylmethyl)-2H-beta-carboline-3-carboxamide
2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(2-methylphenyl)-N-[(tetrahydro-2-furanyl)methyl]-
385.179026976 C24H23N3O2
1-(4-Methylphenyl)-N-(tetrahydro-2-furanylmethyl)-2H-beta-carboline-3-carboxamide
2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(4-methylphenyl)-N-[(tetrahydro-2-furanyl)methyl]-
385.179026976 C24H23N3O2
2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(4-methoxyphenyl)-N-[(tetrahydro-2-furanyl)methyl]-
1-(4-Methoxyphenyl)-N-(tetrahydro-2-furanylmethyl)-2H-beta-carboline-3-carboxamide
401.173941596 C24H23N3O3
2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(3-methoxyphenyl)-N-[(tetrahydro-2-furanyl)methyl]-
1-(3-Methoxyphenyl)-N-(tetrahydro-2-furanylmethyl)-2H-beta-carboline-3-carboxamide
401.173941596 C24H23N3O3
2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(2-methoxyphenyl)-N-[(tetrahydro-2-furanyl)methyl]-
1-(2-Methoxyphenyl)-N-(tetrahydro-2-furanylmethyl)-2H-beta-carboline-3-carboxamide
401.173941596 C24H23N3O3
trans-4-[({2-[(6-Oxo-6H-benzo[c]chromen-3-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[1-oxo-2-[(6-oxo-6H-dibenzo[b,d]pyran-3-yl)oxy]propyl]amino]methyl]-, trans-
423.16818752 C24H25NO6
trans-4-[({2-[(4-Butyl-6-chloro-2-oxo-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[2-[(4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-
463.17616536 C24H30ClNO6
trans-4-[({2-[(4-Butyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[2-[(4-butyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-
429.215137712 C24H31NO6
trans-4-[({[(4-Butyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[2-[(4-butyl-7-methyl-2-oxo-2H-1-benzopyran-5-yl)oxy]acetyl]amino]methyl]-, trans-
429.215137712 C24H31NO6
trans-4-[({[(4-Butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[2-[(4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl]amino]methyl]-, trans-
429.215137712 C24H31NO6
trans-4-[({2-[(7-Methyl-2-oxo-4-propyl-2H-chromen-5-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[2-[(7-methyl-2-oxo-4-propyl-2H-1-benzopyran-5-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-
429.215137712 C24H31NO6
5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one, 7-[[4,6-dideoxy-3-C-methyl-4-(methylamino)-alpha-L-mannopyranosyl]oxy]-1,10,11,11a-tetrahydro-9,11-dihydroxy-8-methyl-2-[(1E)-1-propen-1-yl]-, (11R,11aS)-
(11R,11aS)-9,11-Dihydroxy-8-methyl-5-oxo-2-[(1E)-1-propen-1-yl]-5,10,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl 4,6-dideoxy-3-C-methyl-4-(methylamino)-alpha-L-mannopyranoside
475.231850396 C24H33N3O7
1H-Pyrrole-1-carboxamide, 3-ethyl-2,5-dihydro-4-methyl-N-[2-[4-[[[[(trans-4-methylcyclohexyl)amino]carbonyl]amino]sulfonyl]phenyl]ethyl]-2-oxo-
3-Ethyl-4-methyl-N-[2-(4-{[(trans-4-methylcyclohexyl)carbamoyl]sulfamoyl}phenyl)ethyl]-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide
1H-Pyrrole-1-carboximidic acid, 3-ethyl-2,5-dihydro-N-[2-[4-[[[(E)-hydroxy[(trans-4-methylcyclohexyl)imino]methyl]amino]sulfonyl]phenyl]ethyl]-4-methyl-2-oxo-
3-Ethyl-N-{2-[4-({(E)-hydroxy[(trans-4-methylcyclohexyl)imino]methyl}sulfamoyl)phenyl]ethyl}-4-methyl-2-oxo-2,5-dihydro-1H-pyrrole-1-carboximidic acid
490.224991188 C24H34N4O5S
N-Acetyl-S-({(2R,3S,4R)-2-[(S)-(1S)-2-cyclohexen-1-yl(hydroxy)methyl]-4-hexyl-3-hydroxy-3-methyl-5-oxo-2-pyrrolidinyl}carbonyl)-L-cysteine
L-Cysteine, N-acetyl-S-[[(2R,3S,4R)-2-[(S)-(1S)-2-cyclohexen-1-ylhydroxymethyl]-4-hexyl-3-hydroxy-3-methyl-5-oxo-2-pyrrolidinyl]carbonyl]-
498.239972556 C24H38N2O7S
3'-{(2E)-2-[1-(3,4-Dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazino}-2'-hydroxy-3-biphenylcarboxylic acid
[1,1'-Biphenyl]-3-carboxylic acid, 3'-[(2E)-2-[1-(3,4-dimethylphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]hydrazinyl]-2'-hydroxy-
442.164105184 C25H22N4O4
2-Pyridinecarboxylic acid, 5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolinyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-
5-Amino-6-(7-amino-6-methoxy-5,8-dioxo-5,8-dihydro-2-quinolinyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-2-pyridinecarboxylic acid
506.143763664 C25H22N4O8
Cyclohexanecarboxylic acid, 4-[[[2-[(6-chloro-2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]acetyl]amino]methyl]-, trans-
trans-4-[({[(6-Chloro-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid
469.129215168 C25H24ClNO6
2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(3-bromophenyl)-N-[3-(4-morpholinyl)propyl]-
1-(3-Bromophenyl)-N-[3-(4-morpholinyl)propyl]-2H-beta-carboline-3-carboxamide
492.11608814 C25H25BrN4O2
2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(2,5-dimethoxyphenyl)-N-[(tetrahydro-2-furanyl)methyl]-
1-(2,5-Dimethoxyphenyl)-N-(tetrahydro-2-furanylmethyl)-2H-beta-carboline-3-carboxamide
431.18450628 C25H25N3O4
trans-4-[({[(2-Oxo-4-phenyl-2H-chromen-7-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[2-[(2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]acetyl]amino]methyl]-, trans-
435.16818752 C25H25NO6
trans-4-[({2-[(4-Methyl-6-oxo-6H-benzo[c]chromen-3-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[2-[(4-methyl-6-oxo-6H-dibenzo[b,d]pyran-3-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-
437.183837584 C25H27NO6
trans-4-[({[(4,8,8-Trimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-5-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[2-[(9,10-dihydro-4,8,8-trimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetyl]amino]methyl]-, trans-
457.210052332 C25H31NO7
trans-4-[({2-[(4-Butyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[2-[(4-butyl-7-methyl-2-oxo-2H-1-benzopyran-5-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-
443.230787776 C25H33NO6
L-Cysteine, N-acetyl-S-[[(2R,3S,4R)-2-[(S)-(1S)-2-cyclohexen-1-ylhydroxymethyl]-4-hexyl-3-hydroxy-3-methyl-5-oxo-2-pyrrolidinyl]carbonyl]-, methyl ester
Methyl N-acetyl-S-({(2R,3S,4R)-2-[(S)-(1S)-2-cyclohexen-1-yl(hydroxy)methyl]-4-hexyl-3-hydroxy-3-methyl-5-oxo-2-pyrrolidinyl}carbonyl)-L-cysteinate
512.25562262 C25H40N2O7S
2,4,8,10,14-Heptadecapentaenamide, 7,13-dihydroxy-N-[(1S)-2-hydroxy-1-methylethyl]-2,10,12,14,16-pentamethyl-, (2E,4E,8E,10E,12R,13R,14E)-
(2E,4E,8E,10E,12R,13R,14E)-7,13-Dihydroxy-N-[(2S)-1-hydroxy-2-propanyl]-2,10,12,14,16-pentamethyl-2,4,8,10,14-heptadecapentaenamide
419.303558792 C25H41NO4
(6R)-5,6-Anhydro-6-{(2S,3E,5E)-6-[(2S,3S,6R)-6-(carboxymethyl)-3-methyltetrahydro-2H-pyran-2-yl]-2-methyl-3,5-heptadien-1-yl}-1,4-dideoxy-4,6-dimethyl-3-O-methyl-L-glucitol
D-glycero-L-talo-Heptitol, 2,3-anhydro-2-C-[(2S,3E,5E)-6-[(2S,3S,6R)-6-(carboxymethyl)tetrahydro-3-methyl-2H-pyran-2-yl]-2-methyl-3,5-heptadien-1-yl]-1,4,7-trideoxy-4-methyl-5-O-methyl-
438.298139064 C25H42O6
(1S)-1,5-Anhydro-1-[(9S)-7-hydroxy-1,3,10-trioxo-2,3,8,9,10,12-hexahydro-1H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-9-yl]-D-glucitol
D-Glucitol, 1,5-anhydro-1-C-[(9S)-2,3,8,9,10,12-hexahydro-7-hydroxy-1,3,10-trioxo-1H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-9-yl]-, (1S)-
519.127779252 C26H21N3O9
trans-4-[({2-[(6-Chloro-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[2-[(6-chloro-2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-
483.144865232 C26H26ClNO6
N-(Tetrahydro-2-furanylmethyl)-1-(3,4,5-trimethoxyphenyl)-2H-beta-carboline-3-carboxamide
2H-Pyrido[3,4-b]indole-3-carboxamide, N-[(tetrahydro-2-furanyl)methyl]-1-(3,4,5-trimethoxyphenyl)-
461.195070964 C26H27N3O5
trans-4-[({[(8-Methyl-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[2-[(8-methyl-2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]acetyl]amino]methyl]-, trans-
449.183837584 C26H27NO6
trans-4-[({2-[(2-Oxo-4-phenyl-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[1-oxo-2-[(2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]propyl]amino]methyl]-, trans-
449.183837584 C26H27NO6
trans-4-{[({[4-(4-Methoxyphenyl)-2-oxo-2H-chromen-7-yl]oxy}acetyl)amino]methyl}cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[2-[[4-(4-methoxyphenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy]acetyl]amino]methyl]-, trans-
465.178752204 C26H27NO7
2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(4-methylphenyl)-N-[3-(4-morpholinyl)propyl]-
1-(4-Methylphenyl)-N-[3-(4-morpholinyl)propyl]-2H-beta-carboline-3-carboxamide
428.221226136 C26H28N4O2
2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(3-methoxyphenyl)-N-[3-(4-morpholinyl)propyl]-
1-(3-Methoxyphenyl)-N-[3-(4-morpholinyl)propyl]-2H-beta-carboline-3-carboxamide
444.216140756 C26H28N4O3
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl 2-O-beta-D-xylopyranosyl-beta-D-glucopyranoside
beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl 2-O-beta-D-xylopyranosyl-
580.142820196 C26H28O15
Ethyl (5Z)-5-[ethoxy(hydroxy)methylene]-2,6-dimethyl-4-(2-{(1E)-3-[(2-methyl-2-propanyl)oxy]-3-oxo-1-propen-1-yl}phenyl)-4,5-dihydro-3-pyridinecarboxylate
3-Pyridinecarboxylic acid, 4-[2-[(1E)-3-(1,1-dimethylethoxy)-3-oxo-1-propen-1-yl]phenyl]-5-(ethoxyhydroxymethylene)-4,5-dihydro-2,6-dimethyl-, ethyl ester, (5Z)-
455.230787776 C26H33NO6
2-Hydroxy-5-[(3-methylbutyl)amino]-3-{[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylenedecahydro-1-naphthalenyl]methyl}-1,4-benzoquinone
2,5-Cyclohexadiene-1,4-dione, 3-[[(1R,2S,4aS,8aS)-decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl]methyl]-2-hydroxy-5-[(3-methylbutyl)amino]-
413.292994108 C26H39NO3
N-Cyclohexyl-1-(3,4,5-trimethoxyphenyl)-2H-beta-carboline-3-carboxamide
2H-Pyrido[3,4-b]indole-3-carboxamide, N-cyclohexyl-1-(3,4,5-trimethoxyphenyl)-
459.215806408 C27H29N3O4
trans-4-[({2-[(8-Methyl-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[2-[(8-methyl-2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-
463.199487648 C27H29NO6
trans-4-[({[(3-Benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[2-[[4-methyl-2-oxo-3-(phenylmethyl)-2H-1-benzopyran-7-yl]oxy]acetyl]amino]methyl]-, trans-
463.199487648 C27H29NO6
trans-4-{[({[4-(4-Methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl]oxy}acetyl)amino]methyl}cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[2-[[4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-1-benzopyran-7-yl]oxy]acetyl]amino]methyl]-, trans-
479.194402268 C27H29NO7
trans-4-{[(2-{[4-(4-Methoxyphenyl)-2-oxo-2H-chromen-7-yl]oxy}propanoyl)amino]methyl}cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[2-[[4-(4-methoxyphenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy]-1-oxopropyl]amino]methyl]-, trans-
479.194402268 C27H29NO7
1-(2,5-Dimethoxyphenyl)-N-[3-(4-morpholinyl)propyl]-2H-beta-carboline-3-carboxamide
2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(2,5-dimethoxyphenyl)-N-[3-(4-morpholinyl)propyl]-
474.22670544 C27H30N4O4
1-(3,4-Dimethoxyphenyl)-N-[3-(4-morpholinyl)propyl]-2H-beta-carboline-3-carboxamide
2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(3,4-dimethoxyphenyl)-N-[3-(4-morpholinyl)propyl]-
474.22670544 C27H30N4O4
beta-D-Glucopyranoside, 5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-, inner salt
3-{[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-7-hydroxy-2-(4-hydroxyphenyl)-5-chromeniumolate
578.16355564 C27H30O14
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-
594.15847026 C27H30O15
beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-, inner salt
3-{[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-chromeniumolate
594.15847026 C27H30O15
3-(beta-D-Glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-5-chromeniumyl beta-D-glucopyranoside
beta-D-Glucopyranoside, 3-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium-5-yl
594.15847026 C27H30O15
2-(3,4-Dihydroxyphenyl)-3,7-bis(beta-D-glucopyranosyloxy)-5-chromeniumolate
beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5-hydroxy-1-benzopyrylium-7-yl, inner salt
610.15338488 C27H30O16
beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-7-hydroxy-1-benzopyrylium-5-yl, inner salt
2-(3,4-Dihydroxyphenyl)-3,5-bis(beta-D-glucopyranosyloxy)-7-chromeniumolate
610.15338488 C27H30O16
beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl 2-O-beta-D-glucopyranosyl-
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
610.15338488 C27H30O16
3,5-Bis(beta-D-glucopyranosyloxy)-2-(3,4,5-trihydroxyphenyl)-7-chromeniumolate
beta-D-Glucopyranoside, 3-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium-5-yl, inner salt
626.1482995 C27H30O17
5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-chromeniumyl 2-O-beta-D-erythro-hexopyranosyl-beta-D-glycero-hexopyranoside
beta-D-glycero-Hexopyranoside, 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium-3-yl 2-O-beta-D-erythro-hexopyranosyl-
626.1482995 C27H30O17
trans-4-[({[(8,8-Dimethyl-2-oxo-4-propyl-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-5-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[2-[(9,10-dihydro-8,8-dimethyl-2-oxo-4-propyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetyl]amino]methyl]-, trans-
485.24135246 C27H35NO7
(2S,3Z)-5-{[(2R,3R,5S,6S)-6-{(2E,4E)-5-[(3R,4R,5R,7S)-4,7-Dihydroxy-7-methyl-1,6-dioxaspiro[2.5]oct-5-yl]-3-methyl-2,4-pentadien-1-yl}-2,5-dimethyltetrahydro-2H-pyran-3-yl]amino}-5-oxo-3-penten-2-yl acetate
2-Pentenamide, 4-(acetyloxy)-N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4,7-dihydroxy-7-methyl-1,6-dioxaspiro[2.5]oct-5-yl]-3-methyl-2,4-pentadien-1-yl]tetrahydro-2,5-dimethyl-2H-pyran-3-yl]-, (2Z,4S)-
507.283217272 C27H41NO8
trans-4-[({2-[(3-Benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[2-[[6-chloro-4-methyl-2-oxo-3-(phenylmethyl)-2H-1-benzopyran-7-yl]oxy]-1-oxopropyl]amino]methyl]-, trans-
511.17616536 C28H30ClNO6
trans-4-[({[(3-Benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[2-[[4,8-dimethyl-2-oxo-3-(phenylmethyl)-2H-1-benzopyran-7-yl]oxy]acetyl]amino]methyl]-, trans-
477.215137712 C28H31NO6
3(2H)-Furanone, 2-[(1S,3R,4R)-5,7-dihydroxy-4,7-dimethyl-8-oxo-3,6-bis[(2E,4E)-1-oxo-2,4-hexadien-1-yl]bicyclo[2.2.2]oct-5-en-2-yl]-5-hydroxy-2,4-dimethyl-, (2S)-
(2S)-2-{(1S,3R,4R)-3,6-Di[(2E,4E)-2,4-hexadienoyl]-5,7-dihydroxy-4,7-dimethyl-8-oxobicyclo[2.2.2]oct-5-en-2-yl}-5-hydroxy-2,4-dimethyl-3(2H)-furanone
496.209717984 C28H32O8
Methyl (3alpha,6alpha,9xi,14beta)-3-acetoxy-15-hydroxy-4,4,8,12,16-pentamethyl-17,19-dioxo-6,19-epoxyandrosta-11,15-diene-14-carboxylate
Androsta-11,15-diene-14-carboxylic acid, 3-(acetyloxy)-6,19-epoxy-15-hydroxy-4,4,8,12,16-pentamethyl-17,19-dioxo-, methyl ester, (3alpha,6alpha,9xi,14beta)-
500.241018112 C28H36O8
(7R,10R,11R,12E,17E,19E,21S)-21-Hydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0~3,7~]octacosa-1(27),12,17,19,25(28)-pentaene-2,8,14,23-tetrone
3H-21,18-Nitrilo-1H,22H-pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone, 8,9,14,15,24,25,26,26a-octahydro-14-hydroxy-4,12-dimethyl-3-(1-methylethyl)-, (3R,4R,5E,10E,12E,14S,26aR)-
527.263150524 C28H37N3O7
trans-4-[({2-[(3-Benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[2-[[4,7-dimethyl-2-oxo-3-(phenylmethyl)-2H-1-benzopyran-5-yl]oxy]-1-oxopropyl]amino]methyl]-, trans-
491.230787776 C29H33NO6
trans-4-[({2-[(3-Benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-[[[2-[[4,8-dimethyl-2-oxo-3-(phenylmethyl)-2H-1-benzopyran-7-yl]oxy]-1-oxopropyl]amino]methyl]-, trans-
491.230787776 C29H33NO6
2-Hydroxy-5-[(2-phenylethyl)amino]-3-{[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylenedecahydro-1-naphthalenyl]methyl}-1,4-benzoquinone
2,5-Cyclohexadiene-1,4-dione, 3-[[(1R,2S,4aS,8aS)-decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl]methyl]-2-hydroxy-5-[(2-phenylethyl)amino]-
447.277344044 C29H37NO3
6-Acetyl-1,9-dihydroxy-3,7,11,12-tetramethoxy-5-methyl-2H-cyclohepta[ghi]perylene-2,8(4H)-dione
2H-Cyclohepta[ghi]perylene-2,8(4H)-dione, 6-acetyl-1,9-dihydroxy-3,7,11,12-tetramethoxy-5-methyl-
528.142032348 C30H24O9
(1S,2R)-1-Acetyl-2,6,12-trihydroxy-4,8,9,13-tetramethoxy-2-methyl-2,3-dihydro-1H-cyclohepta[ghi]perylene-5,11-dione
1H-Cyclohepta[ghi]perylene-5,11-dione, 1-acetyl-2,3-dihydro-2,6,12-trihydroxy-4,8,9,13-tetramethoxy-2-methyl-, (1S,2R)-
546.152597032 C30H26O10
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl 6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside
beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl 6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-
594.137340892 C30H26O13
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-chromeniumyl 6-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-beta-D-galactopyranoside
beta-D-Galactopyranoside, 5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium-3-yl 6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]-
594.137340892 C30H26O13
Methyl N-[(5Z)-6-{[(2E,4E,6S,7S,8R,9S,10E)-7,9-dimethoxy-3,6,8-trimethyl-11-phenyl-2,4,10-undecatrienoyl]amino}-5-hexenoyl]glycinate
Glycine, N-[(5Z)-6-[[(2E,4E,6S,7S,8R,9S,10E)-7,9-dimethoxy-3,6,8-trimethyl-1-oxo-11-phenyl-2,4,10-undecatrien-1-yl]amino]-1-oxo-5-hexen-1-yl]-, methyl ester
540.319937128 C31H44N2O6
N-(1-Benzyl-4-piperidinyl)-1-(2,5-dimethoxyphenyl)-2H-beta-carboline-3-carboxamide
2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(2,5-dimethoxyphenyl)-N-[1-(phenylmethyl)-4-piperidinyl]-
520.247440884 C32H32N4O3
2H-Pyrido[3,4-b]indole-3-carboxamide, N-[1-(phenylmethyl)-4-piperidinyl]-1-(3,4,5-trimethoxyphenyl)-
N-(1-Benzyl-4-piperidinyl)-1-(3,4,5-trimethoxyphenyl)-2H-beta-carboline-3-carboxamide
550.258005568 C33H34N4O4
beta-D-Glucopyranoside, 5-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-
5-(beta-D-Glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-3-chromeniumyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
740.21637906 C33H40O19
740.195249692 C36H36O17
193.05195806 C5H10BO7
Pyridinium, 1,3-dihydroxy-
1,3-Dihydroxypyridinium
111.0320284 C5H5NO2
169.059974464 C5H7N5O2
Acetamide, N-[(2Z)-5-(aminosulfonyl)-3-methyl-1,3,4-thiadiazol-2(3H)-ylidene]-
N-[(2Z)-3-Methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene]acetamide
236.003782116 C5H8N4O3S2
1H-Purin-6-ol, 1-methyl-
1-Methyl-1H-purin-6-ol
150.054160812 C6H6N4O
2-Pyrimidinamine, 1,6-dihydro-1-hydroxy-6-imino-4-(1-piperidinyl)-
2-Amino-6-imino-4-(1-piperidinyl)-1(6H)-pyrimidinol
209.1276601 C9H15N5O
6-(1-Piperidinyl)-2,4-pyrimidinediamine 3-oxide
2,4-Pyrimidinediamine, 6-(1-piperidinyl)-, 3-oxide
2-Imino-6-(1-piperidinyl)-1,2-dihydro-4-pyrimidinamine 3-oxide
4-Pyrimidinamine, 1,2-dihydro-2-imino-6-(1-piperidinyl)-, 3-oxide
209.1276601 C9H15N5O
2'-Deoxy-5-hydroxycytidine 5'-(tetrahydrogen triphosphate)
Cytidine, 2'-deoxy-5-hydroxy-, 5'-(tetrahydrogen triphosphate)
482.984512082 C9H16N3O14P3
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In [21]:
all_compounds = []
for myCompound in new_compounds:
c = metob.Compound()
c.description = myCompound['description'].strip()
c.name = myCompound['name'].strip()
c.inchi = myCompound['inchi'].strip()
c.inchi_key = myCompound['inchi_key'].strip()
myMol = Chem.MolFromInchi(myCompound['inchi'].strip())
if len(c.inchi) > 0:
myCharge = Chem.GetFormalCharge(myMol)
if myCharge != 0:
(myMol, neutralised) = NeutraliseCharges(myMol)
c.formula = rdMolDescriptors.CalcMolFormula(myMol)
c.mono_isotopic_molecular_weight = Descriptors.ExactMolWt(myMol)
all_compounds.append(c)
# except:
# print "Can not parse ", myCompound['name']
In [22]:
all_compounds
Out[22]:
[{'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C10H13N5O5',
'functional_sets': [],
'head_id': u'93cbf4e42f254856bc4d79ee676d742b',
'inchi': u'InChI=1S/C10H13N5O5/c11-8-5-9(13-3-15(8)19)14(2-12-5)10-7(18)6(17)4(1-16)20-10/h2-4,6-7,10-11,16-19H,1H2/b11-8-',
'inchi_key': u'QHFLZHVITNUFMV-FLIBITNWSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 283.091668516,
'name': u'6H-Purin-6-imine, 1,9-dihydro-1-hydroxy-9-pentofuranosyl-, (6Z)-\n(6Z)-6-Imino-9-pentofuranosyl-6,9-dihydro-1H-purin-1-ol',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'93cbf4e42f254856bc4d79ee676d742b',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C10H14O2',
'functional_sets': [],
'head_id': u'7cd0eda4659e46f88e07bbdbe586e13c',
'inchi': u'InChI=1S/C10H14O2/c1-9(2)6-4-7(11)10(9,3)8(12)5-6/h6H,4-5H2,1-3H3/t6-,10+',
'inchi_key': u'PCEVUTCFZAQRKV-XGAOUMNUSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 166.099379688,
'name': u'1,7,7-Trimethylbicyclo[2.2.1]heptane-2,6-dione\nBicyclo[2.2.1]heptane-2,6-dione, 1,7,7-trimethyl-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'7cd0eda4659e46f88e07bbdbe586e13c',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C10H14O3',
'functional_sets': [],
'head_id': u'3d2a5622877942e4a80105a1f5dbcfb7',
'inchi': u'InChI=1S/C10H14O3/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h6-7,12H,2-5H2,1H3',
'inchi_key': u'GQKAFRQIXWEJOJ-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 182.094294308,
'name': u'8H-2-Benzopyran-8-one, 3,4,4a,5,6,7-hexahydro-1-hydroxy-3-methyl-\n1-Hydroxy-3-methyl-3,4,4a,5,6,7-hexahydro-8H-isochromen-8-one',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'3d2a5622877942e4a80105a1f5dbcfb7',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C10H16',
'functional_sets': [],
'head_id': u'26d5f9f700404294881674b2501d2c45',
'inchi': u'InChI=1S/C10H16/c1-9(2)6-4-7-8(5-6)10(7,9)3/h6-8H,4-5H2,1-3H3/t6-,7?,8?,10+',
'inchi_key': u'RRBYUSWBLVXTQN-JYCPTSIYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 136.125200512,
'name': u'1,7,7-Trimethyltricyclo[2.2.1.0~2,6~]heptane\nTricyclo[2.2.1.0~2,6~]heptane, 1,7,7-trimethyl-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'26d5f9f700404294881674b2501d2c45',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C10H16N4O3',
'functional_sets': [],
'head_id': u'e061406dc46c4e1080ac8990ead63d51',
'inchi': u'InChI=1S/C10H16N4O3/c1-14-5-7(13-6-14)4-8(12)10(16)17-9(15)2-3-11/h5-6,8H,2-4,11-12H2,1H3',
'inchi_key': u'QAWKDPXGVJMDHM-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 240.122240372,
'name': u'3-Aminopropanoyl 1-methyl-L-histidinate',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'e061406dc46c4e1080ac8990ead63d51',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C10H18O',
'functional_sets': [],
'head_id': u'6ba16fe6489e41199ec7b1218890126c',
'inchi': u'InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3/t8?,10-',
'inchi_key': u'WEEGYLXZBRQIMU-GDGYMVOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 154.135765196,
'name': u'1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane\n2-Oxabicyclo[2.2.2]octane, 1,3,3-trimethyl-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'6ba16fe6489e41199ec7b1218890126c',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C11H10N4O4',
'functional_sets': [],
'head_id': u'10a00dbedb2541418b87ec07d6ea963b',
'inchi': u'InChI=1S/C11H10N4O4/c1-19-11(16)13-12-6-8-7-14(17)9-4-2-3-5-10(9)15(8)18/h2-7H,1H3,(H,13,16)',
'inchi_key': u'OVGGLBAWFMIPPY-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 262.0702048,
'name': u'Methyl (2E)-2-[(1,4-dioxido-2-quinoxalinyl)methylene]hydrazinecarboxylate\nHydrazinecarboxylic acid, 2-[(1,4-dioxido-2-quinoxalinyl)methylene]-, methyl ester, (2E)-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'10a00dbedb2541418b87ec07d6ea963b',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C11H8O6',
'functional_sets': [],
'head_id': u'842529ad11164fad87071aaf91620494',
'inchi': u'InChI=1S/C11H8O6/c1-3-2-4(12)5-6(7(3)13)9(15)11(17)10(16)8(5)14/h2,12-13,16-17H,1H3',
'inchi_key': u'WXLPYHMWBMMBOS-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 236.032087976,
'name': u'2,3,5,8-Tetrahydroxy-6-methyl-1,4-naphthoquinone\n1,4-Naphthalenedione, 2,3,5,8-tetrahydroxy-6-methyl-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'842529ad11164fad87071aaf91620494',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C12H11N3O',
'functional_sets': [],
'head_id': u'35a8cd1a59b44b0f8b070e2e6714f9e0',
'inchi': u'InChI=1S/C12H11N3O/c1-9-7-8-11(16)12(13-9)15-14-10-5-3-2-4-6-10/h2-8,16H,1H3',
'inchi_key': u'LOCPVWIREQIGNQ-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 213.090211972,
'name': u'3-Pyridinol, 6-methyl-2-(2-phenyldiazenyl)-\n6-Methyl-2-(phenyldiazenyl)-3-pyridinol',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'35a8cd1a59b44b0f8b070e2e6714f9e0',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C12H12N2',
'functional_sets': [],
'head_id': u'87976ba6718a45a3a537cd4801ee1556',
'inchi': u'InChI=1S/C12H12N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,14H,6-7H2,1H3',
'inchi_key': u'CWOYLIJQLSNRRN-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 184.100048384,
'name': u'1-Methyl-4,9-dihydro-3H-beta-carboline\n3H-Pyrido[3,4-b]indole, 4,9-dihydro-1-methyl-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'87976ba6718a45a3a537cd4801ee1556',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C12H21N',
'functional_sets': [],
'head_id': u'db428dd3c100405891936746a3c00f3e',
'inchi': u'InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3/t9-,10+,11-,12-',
'inchi_key': u'BUGYDGFZZOZRHP-CDECOKDKSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 179.167399672,
'name': u'(1r,3R,5S,7r)-3,5-Dimethyl-1-adamantanamine\nTricyclo[3.3.1.1~3,7~]decan-1-amine, 3,5-dimethyl-, (3R,5S)-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'db428dd3c100405891936746a3c00f3e',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C13H10N2O2',
'functional_sets': [],
'head_id': u'f7449f57c4de40779605a7af62f5d46e',
'inchi': u'InChI=1S/C13H10N2O2/c1-17-13(16)12-11-9(6-7-14-12)8-4-2-3-5-10(8)15-11/h2-7,14H,1H3',
'inchi_key': u'JFTNFUWYCWYMKW-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 226.07422756,
'name': u'2H-Pyrido[3,4-b]indole-1-carboxylic acid, methyl ester\nMethyl 2H-beta-carboline-1-carboxylate',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'f7449f57c4de40779605a7af62f5d46e',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C13H10N2O3',
'functional_sets': [],
'head_id': u'37f7ce1d3a0942d8a68507ef9e78c36e',
'inchi': u'InChI=1S/C13H10N2O3/c16-10-7-5-9(6-8-10)14-15-12-4-2-1-3-11(12)13(17)18/h1-8,16H,(H,17,18)',
'inchi_key': u'DWQOTEPNRWVUDA-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 242.06914218,
'name': u'2-[(4-Hydroxyphenyl)diazenyl]benzoic acid\nBenzoic acid, 2-[2-(4-hydroxyphenyl)diazenyl]-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'37f7ce1d3a0942d8a68507ef9e78c36e',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C13H11N3O',
'functional_sets': [],
'head_id': u'97d3e81000c742d8b7cb7d3a0ef78ab5',
'inchi': u'InChI=1S/C13H11N3O/c1-14-13(17)11-6-9-8-4-2-3-5-10(8)16-12(9)7-15-11/h2-7,15H,1H3,(H,14,17)',
'inchi_key': u'LTODWURWNDCSOY-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 225.090211972,
'name': u'N-Methyl-2H-beta-carboline-3-carboxamide\n2H-Pyrido[3,4-b]indole-3-carboxamide, N-methyl-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'97d3e81000c742d8b7cb7d3a0ef78ab5',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C13H11N3O2',
'functional_sets': [],
'head_id': u'417ed2c8f67c40d7a3079335ad148dac',
'inchi': u'InChI=1S/C13H11N3O2/c17-12-4-2-1-3-11(12)9-15-16-13(18)10-5-7-14-8-6-10/h1-9,17H,(H,16,18)',
'inchi_key': u'VBIZUNYMJSPHBH-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 241.085126592,
'name': u"N'-(2-Hydroxybenzylidene)isonicotinohydrazide\n4-Pyridinecarboxylic acid, 2-[(2-hydroxyphenyl)methylene]hydrazide",
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'417ed2c8f67c40d7a3079335ad148dac',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C13H11NO4',
'functional_sets': [],
'head_id': u'aac4242310e74b888294e996039eb4cc',
'inchi': u'InChI=1S/C13H11NO4/c1-16-11-7-3-4-9(15)12(17-2)10(7)14-13-8(11)5-6-18-13/h3-6,15H,1-2H3',
'inchi_key': u'LJKPBWHZRNQEMO-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 245.068807832,
'name': u'Furo[2,3-b]quinolin-7-ol, 4,8-dimethoxy-\n4,8-Dimethoxyfuro[2,3-b]quinolin-7-ol',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'aac4242310e74b888294e996039eb4cc',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C13H14N2O',
'functional_sets': [],
'head_id': u'07ba0e338c724d12aed5cdf0052c63c7',
'inchi': u'InChI=1S/C13H14N2O/c1-8-13-10(5-6-14-8)11-7-9(16-2)3-4-12(11)15-13/h3-4,7,15H,5-6H2,1-2H3',
'inchi_key': u'HMBHRMFLDKKSCT-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 214.110613068,
'name': u'3H-Pyrido[3,4-b]indole, 4,9-dihydro-6-methoxy-1-methyl-\n6-Methoxy-1-methyl-4,9-dihydro-3H-beta-carboline',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'07ba0e338c724d12aed5cdf0052c63c7',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C13H14O5',
'functional_sets': [],
'head_id': u'426b26bb606342a9a42a9c9ba67aae05',
'inchi': u'InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,15H,1-3H3,(H,16,17)/t5-,7-/m1/s1',
'inchi_key': u'CQIUKKVOEOPUDV-IYSWYEEDSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 250.084123548,
'name': u'(3R,4S)-8-Hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid\n3H-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, (3R,4S)-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'426b26bb606342a9a42a9c9ba67aae05',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C14H10N2O2',
'functional_sets': [],
'head_id': u'29693bfd29434bbd8125ab8f3d91cefa',
'inchi': u'InChI=1S/C14H10N2O2/c17-12-8-4-2-6-10(12)13-15-11-7-3-1-5-9(11)14(18)16-13/h1-8,17H,(H,15,16,18)',
'inchi_key': u'OVVWPYNVWLHEGE-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 238.07422756,
'name': u'4(3H)-Quinazolinone, 2-(2-hydroxyphenyl)-\n2-(2-Hydroxyphenyl)-4(1H)-quinazolinone',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'29693bfd29434bbd8125ab8f3d91cefa',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C14H12N2O',
'functional_sets': [],
'head_id': u'41cce3ce8a6d44fbaa6d2cba4b205df2',
'inchi': u'InChI=1S/C14H12N2O/c1-3-10-14-13(12(17-2)8-15-10)9-6-4-5-7-11(9)16-14/h3-8,15H,1H2,2H3',
'inchi_key': u'KMXKUZAFSGQYGL-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 224.094963004,
'name': u'4-Methoxy-1-vinyl-2H-beta-carboline\n2H-Pyrido[3,4-b]indole, 1-ethenyl-4-methoxy-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'41cce3ce8a6d44fbaa6d2cba4b205df2',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C14H12N2O2',
'functional_sets': [],
'head_id': u'66120f42ec2c420db1cced6302450556',
'inchi': u'InChI=1S/C14H12N2O2/c1-2-18-14(17)12-7-10-9-5-3-4-6-11(9)16-13(10)8-15-12/h3-8,15H,2H2,1H3',
'inchi_key': u'QWWODAPIEHJFQG-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 240.089877624,
'name': u'2H-Pyrido[3,4-b]indole-3-carboxylic acid, ethyl ester\nEthyl 2H-beta-carboline-3-carboxylate',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'66120f42ec2c420db1cced6302450556',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C14H13N3O3',
'functional_sets': [],
'head_id': u'92ad18444adb445b86d2e5bd5c6660f7',
'inchi': u'InChI=1S/C14H13N3O3/c1-20-13-8-10(2-3-12(13)18)9-16-17-14(19)11-4-6-15-7-5-11/h2-9,18H,1H3,(H,17,19)',
'inchi_key': u'PSWOBQSIXLVPDV-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 271.095691276,
'name': u"4-Pyridinecarboxylic acid, 2-[(4-hydroxy-3-methoxyphenyl)methylene]hydrazide\nN'-(4-Hydroxy-3-methoxybenzylidene)isonicotinohydrazide",
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'92ad18444adb445b86d2e5bd5c6660f7',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C14H21N6O9P',
'functional_sets': [],
'head_id': u'ead93f5f2b2142848c49a53f2d89c181',
'inchi': u'InChI=1S/C14H21N6O9P/c15-6(1-8(21)22)2-27-30(25,26)28-3-7-10(23)11(24)14(29-7)20-5-19-9-12(16)17-4-18-13(9)20/h4-7,10-11,14,23-24H,1-3,15H2,(H,21,22)(H,25,26)(H2,16,17,18)',
'inchi_key': u'YPSDLXHBBWUOTP-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 448.1107628819998,
'name': u"5'-O-{[(2S)-2-Amino-3-carboxypropoxy](hydroxy)phosphoryl}adenosine\nAdenosine, 5'-O-[[(2S)-2-amino-3-carboxypropoxy]hydroxyphosphinyl]-",
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'ead93f5f2b2142848c49a53f2d89c181',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C14H25NO11',
'functional_sets': [],
'head_id': u'a99add4e13104ad1a924ed851a8ddf31',
'inchi': u'InChI=1S/C14H25NO11/c1-3(17)15-5-7(19)6(18)4(2-16)25-14(5)26-13-11(23)9(21)8(20)10(22)12(13)24/h4-14,16,18-24H,2H2,1H3,(H,15,17)/t4-,5-,6-,7-,8-,9-,10+,11+,12+,13-,14-/m1/s1',
'inchi_key': u'MRKTUVZZZRUSQR-DNSWDBFXSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 383.1427606199999,
'name': u'2,3,4,5,6-Pentahydroxycyclohexyl 2-acetamido-2-deoxyhexopyranoside\nHexopyranoside, 2,3,4,5,6-pentahydroxycyclohexyl 2-(acetylamino)-2-deoxy-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'a99add4e13104ad1a924ed851a8ddf31',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C14H8N2O2',
'functional_sets': [],
'head_id': u'5137e0d7b0a34cdfb3cd858ed6657241',
'inchi': u'InChI=1S/C14H8N2O2/c17-11-3-1-2-10-13(11)8-6-7-15-9-4-5-12(18)16(10)14(8)9/h1-7,17H',
'inchi_key': u'KXFAUPPCQVBDBN-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 236.058577496,
'name': u'6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one, 11-hydroxy-\n11-Hydroxy-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'5137e0d7b0a34cdfb3cd858ed6657241',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C15H10N2O3',
'functional_sets': [],
'head_id': u'c96bd1f37edd4290a7fd8405e1f5d738',
'inchi': u'InChI=1S/C15H10N2O3/c1-20-14-11-12-9(6-7-16-11)8-4-2-3-5-10(8)17(12)15(19)13(14)18/h2-7,18H,1H3',
'inchi_key': u'PGFKZUOYIFDMQJ-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 266.06914218000003,
'name': u'6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one, 5-hydroxy-4-methoxy-\n5-Hydroxy-4-methoxy-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'c96bd1f37edd4290a7fd8405e1f5d738',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C15H10O4',
'functional_sets': [],
'head_id': u'38d3f296a6044de6aadfa8615af5dcfa',
'inchi': u'InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)14-6-5-12-13(18)7-11(17)8-15(12)19-14/h1-8H,(H2-,16,17,18)',
'inchi_key': u'ZKMZBAABQFUXFE-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 254.0579088,
'name': u'5,7-Dihydroxy-2-(4-hydroxyphenyl)chromenium\n1-Benzopyrylium, 5,7-dihydroxy-2-(4-hydroxyphenyl)-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'38d3f296a6044de6aadfa8615af5dcfa',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C15H14O3',
'functional_sets': [],
'head_id': u'bb026b3c0b4d4d80ace71b83ae24551b',
'inchi': u'InChI=1S/C15H14O3/c1-9(2)7-8-12-13(16)10-5-3-4-6-11(10)14(17)15(12)18/h3-7,18H,8H2,1-2H3',
'inchi_key': u'CIEYTVIYYGTCCI-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 242.094294308,
'name': u'1,4-Naphthalenedione, 2-hydroxy-3-(3-methyl-2-buten-1-yl)-\n2-Hydroxy-3-(3-methyl-2-buten-1-yl)-1,4-naphthoquinone',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'bb026b3c0b4d4d80ace71b83ae24551b',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C15H24O',
'functional_sets': [],
'head_id': u'8d51c65668ac485283c3bd65cd4e2bfc',
'inchi': u'InChI=1S/C15H24O/c1-10-5-7-15(4)13(9-10)16-12-6-8-14(15,3)11(12)2/h9,11-13H,5-8H2,1-4H3',
'inchi_key': u'FXELQRCNOUMUMW-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 220.182715388,
'name': u'(12xi)-Trichothec-9-ene\nTrichothec-9-ene, (2alpha,12xi)-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'8d51c65668ac485283c3bd65cd4e2bfc',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C15H24O',
'functional_sets': [],
'head_id': u'05a014e6888b41fdb114aa8f714c75f7',
'inchi': u'InChI=1S/C15H24O/c1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3/h5,11-13,16H,4,6-9H2,1-3H3/b10-5-/t11?,12?,13?,14?,15-',
'inchi_key': u'PDEQKAVEYSOLJX-NVFXPZDQSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 220.182715388,
'name': u'(2Z)-5-(2,3-Dimethyltricyclo[2.2.1.0~2,6~]hept-3-yl)-2-methyl-2-penten-1-ol\n2-Penten-1-ol, 5-(2,3-dimethyltricyclo[2.2.1.0~2,6~]hept-3-yl)-2-methyl-, (2Z)-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'05a014e6888b41fdb114aa8f714c75f7',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C15H34N9O8PS',
'functional_sets': [],
'head_id': u'b2522ce9aa8f45f890124bab6546fa5f',
'inchi': u'InChI=1S/C15H34N9O8PS/c1-9(12(25)23-11(14(27)28)6-2-3-7-20-15(17)18)22-13(26)10(16)5-4-8-21-33(19,29)24-34(30,31)32/h9-11H,2-8,16H2,1H3,(H,22,26)(H,23,25)(H,27,28)(H4,17,18,20)(H,30,31,32)(H4,19,21,24,29)',
'inchi_key': u'QDAOSMKOZCCWLJ-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 531.198866678,
'name': u'N~5~-[Amino(sulfoamino)phosphoryl]-L-ornithyl-L-alanyl-N~6~-carbamimidoyl-L-lysine\nL-Lysine, N~5~-[amino(sulfoamino)phosphinyl]-L-ornithyl-L-alanyl-N~6~-(aminoiminomethyl)-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'b2522ce9aa8f45f890124bab6546fa5f',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C16H10BrN3O2',
'functional_sets': [],
'head_id': u'1e77930efe5a4ac5a8f7dd8ebb178eed',
'inchi': u'InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,19,21-22H',
'inchi_key': u'JBFAMTBDRIBCKO-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 354.99563866000005,
'name': u'',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'1e77930efe5a4ac5a8f7dd8ebb178eed',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C16H10N2O2',
'functional_sets': [],
'head_id': u'b152e08a31e24b3998606570e7c9ea09',
'inchi': u'InChI=1S/C16H10N2O2/c19-15-10-6-2-4-8-12(10)17-14(15)13-9-5-1-3-7-11(9)18-16(13)20/h1-8,18,20H',
'inchi_key': u'JNLNPCNGMHKCKO-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 262.07422756,
'name': u"3H-Indol-3-one, 2-(2-hydroxy-1H-indol-3-yl)-\n2'-Hydroxy-1'H,3H-2,3'-biindol-3-one",
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'b152e08a31e24b3998606570e7c9ea09',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C16H14ClN3O',
'functional_sets': [],
'head_id': u'd0193f5f375a4f5a8acf3dbf58b6eb1c',
'inchi': u'InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)',
'inchi_key': u'ANTSCNMPPGJYLG-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 299.082539748,
'name': u'3H-1,4-Benzodiazepin-2-amine, 7-chloro-N-methyl-5-phenyl-, 4-oxide\n7-Chloro-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine 4-oxide\n(2Z)-7-Chloro-N-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-imine 4-oxide\nMethanamine, N-[(2Z)-7-chloro-1,3-dihydro-4-oxido-5-phenyl-2H-1,4-benzodiazepin-2-ylidene]-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'd0193f5f375a4f5a8acf3dbf58b6eb1c',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C16H14O6',
'functional_sets': [],
'head_id': u'25e1cdc913694a6791cdbf6f667933fa',
'inchi': u'InChI=1S/C16H14O6/c1-9-7-13(19)15(16(20)22-9)12(18)6-4-10-3-5-11(17)14(8-10)21-2/h3-8,17,19H,1-2H3/b6-4+',
'inchi_key': u'LRCLIDIMQAJTGZ-GQCTYLIASA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 302.07903816799995,
'name': u'4-Hydroxy-3-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-6-methyl-2H-pyran-2-one\n2H-Pyran-2-one, 4-hydroxy-3-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-6-methyl-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'25e1cdc913694a6791cdbf6f667933fa',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C16H15F3N2O4',
'functional_sets': [],
'head_id': u'ebf75b2893a04360ba3f8caf0e57461a',
'inchi': u'InChI=1S/C16H15F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,13,22H,1-3H3/b15-12-',
'inchi_key': u'YTMCTWONBYRCCU-QINSGFPZSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 356.09839162,
'name': u'Methanol, 1-[2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3(4H)-pyridinylidene]-1-methoxy-, (E)-\n(E)-{2,6-Dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3(4H)-pyridinylidene}(methoxy)methanol',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'ebf75b2893a04360ba3f8caf0e57461a',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C16H15F3N2O4',
'functional_sets': [],
'head_id': u'ce58d5d3ffa24453bee751ceeef8c57e',
'inchi': u'InChI=1S/C16H15F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,13,22H,1-3H3/b15-12+',
'inchi_key': u'YTMCTWONBYRCCU-NTCAYCPXSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 356.09839162,
'name': u'(Z)-{2,6-Dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3(4H)-pyridinylidene}(methoxy)methanol\nMethanol, 1-[2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3(4H)-pyridinylidene]-1-methoxy-, (Z)-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
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'synonyms': u'',
'unique_id': u'ce58d5d3ffa24453bee751ceeef8c57e',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C16H20N4O5',
'functional_sets': [],
'head_id': u'451753f5fa1c4d0b8a9e05d24303a589',
'inchi': u'InChI=1S/C16H20N4O5/c1-6-10(17)13(22)9-7(5-25-15(18)23)16(24-3)14-8(19(14)2)4-20(16)11(9)12(6)21/h7-8,14,17,21H,4-5H2,1-3H3,(H2,18,23)',
'inchi_key': u'RLZIADDATOMNNY-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 348.14336973999986,
'name': u"Azirino[2',3':3,4]pyrrolo[1,2-a]indol-7(1H)-one, 8-[[(aminocarbonyl)oxy]methyl]-1a,2,6,8,8a,8b-hexahydro-4-hydroxy-6-imino-8a-methoxy-1,5-dimethyl-\n(4-Hydroxy-6-imino-8a-methoxy-1,5-dimethyl-7-oxo-1,1a,2,6,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl carbamate",
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
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'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'451753f5fa1c4d0b8a9e05d24303a589',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C16H23N5O',
'functional_sets': [],
'head_id': u'e11186085d0a4865972fd243a2e26305',
'inchi': u'InChI=1S/C16H23N5O/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21)',
'inchi_key': u'IKBKZGMPCYNSLU-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 301.190260356,
'name': u'Hydrazinecarboximidamide, 2-[(5-methoxy-1H-indol-3-yl)methylene]-N-pentyl-\n2-[(5-Methoxy-1H-indol-3-yl)methylene]-N-pentylhydrazinecarboximidamide',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'e11186085d0a4865972fd243a2e26305',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C17H15N3O6',
'functional_sets': [],
'head_id': u'f2b814620b324357b110ef2e9444d059',
'inchi': u'InChI=1S/C17H15N3O6/c21-14-6-5-12(9-13(14)17(25)26)20-19-11-3-1-10(2-4-11)16(24)18-8-7-15(22)23/h1-6,9,21H,7-8H2,(H,18,24)(H,22,23)(H,25,26)',
'inchi_key': u'IPOKCKJONYRRHP-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 357.0960851999999,
'name': u'5-({4-[(2-Carboxyethyl)carbamoyl]phenyl}diazenyl)-2-hydroxybenzoic acid\nBenzoic acid, 5-[2-[4-[[(2-carboxyethyl)amino]carbonyl]phenyl]diazenyl]-2-hydroxy-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'f2b814620b324357b110ef2e9444d059',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C17H16N2OS',
'functional_sets': [],
'head_id': u'b0628e364dc8457487136d0f1b5e17c8',
'inchi': u'InChI=1S/C17H16N2OS/c20-14-10-18-16(11-6-2-1-3-7-11)15-12-8-4-5-9-13(12)21-17(15)19-14/h1-3,6-7H,4-5,8-10H2,(H,19,20)',
'inchi_key': u'AIZFEOPQVZBNGH-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 296.098334132,
'name': u'5-Phenyl-1,3,6,7,8,9-hexahydro-2H-[1]benzothieno[2,3-e][1,4]diazepin-2-one\n2H-[1]Benzothieno[2,3-e]-1,4-diazepin-2-one, 1,3,6,7,8,9-hexahydro-5-phenyl-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'b0628e364dc8457487136d0f1b5e17c8',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C17H18N2O6',
'functional_sets': [],
'head_id': u'e0d68db87d8a43f28749c458793e43a5',
'inchi': u'InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,20H,1-4H3/b16-13+',
'inchi_key': u'HZAYOBLZTKMKJT-DTQAZKPQSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 346.1164862959999,
'name': u'3-Pyridinecarboxylic acid, 4,5-dihydro-5-(hydroxymethoxymethylene)-2,6-dimethyl-4-(2-nitrophenyl)-, methyl ester, (5Z)-\nMethyl (5Z)-5-[hydroxy(methoxy)methylene]-2,6-dimethyl-4-(2-nitrophenyl)-4,5-dihydro-3-pyridinecarboxylate',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'e0d68db87d8a43f28749c458793e43a5',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C17H20N4S',
'functional_sets': [],
'head_id': u'a59d7f8658f14664a385e680da5f11c9',
'inchi': u'InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3',
'inchi_key': u'KVWDHTXUZHCGIO-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 312.14086764,
'name': u'10H-Thieno[2,3-b][1,5]benzodiazepine, 2-methyl-4-(4-methyl-1-piperazinyl)-\n2-Methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepine',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
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'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'a59d7f8658f14664a385e680da5f11c9',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C17H21NO4',
'functional_sets': [],
'head_id': u'ea9e85ead6e044a7a93a101d59bdae40',
'inchi': u'InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15?,16?/m1/s1',
'inchi_key': u'STECJAGHUSJQJN-MSIGHWPWSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 303.147058152,
'name': u'Benzeneacetic acid, alpha-(hydroxymethyl)-, (1R,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl ester, (alphaS)-\n(1R,5S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl (2S)-3-hydroxy-2-phenylpropanoate',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'ea9e85ead6e044a7a93a101d59bdae40',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C17H21NO5',
'functional_sets': [],
'head_id': u'7b9636f4273442608eb2ca2559d14b97',
'inchi': u'InChI=1S/C17H21NO5/c1-18(21)13-7-11(8-14(18)16-15(13)23-16)22-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12?,13-,14-,15-,16+,18?/m0/s1',
'inchi_key': u'GSYQNAMOFFWAPF-LPCKZPPKSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 319.141972772,
'name': u'Benzeneacetic acid, alpha-(hydroxymethyl)-, 9-methyl-9-oxido-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl ester\n9-Methyl-9-oxido-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl tropate',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
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'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'7b9636f4273442608eb2ca2559d14b97',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C17H23NO3',
'functional_sets': [],
'head_id': u'c3664bc52e504386a16f178193089653',
'inchi': u'InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16-/m1/s1',
'inchi_key': u'RKUNBYITZUJHSG-FXUDXRNXSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 289.167793596,
'name': u'(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate\nBenzeneacetic acid, alpha-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (alphaS)-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'c3664bc52e504386a16f178193089653',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C17H23NO3',
'functional_sets': [],
'head_id': u'b06f53e29124418b88d0a4d0bf0530c7',
'inchi': u'InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?',
'inchi_key': u'RKUNBYITZUJHSG-SPUOUPEWSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 289.167793596,
'name': u'Benzeneacetic acid, alpha-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester\n(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl tropate',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'b06f53e29124418b88d0a4d0bf0530c7',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C17H23NO4',
'functional_sets': [],
'head_id': u'2423d9d7de424c169807eb3ea0b5b17f',
'inchi': u'InChI=1S/C17H23NO4/c18-11-13-1-6-14(7-2-13)17(21)22-15-8-3-12(4-9-15)5-10-16(19)20/h3-4,8-9,13-14H,1-2,5-7,10-11,18H2,(H,19,20)/t13-,14-',
'inchi_key': u'FHRSHSOEWXUORL-HDJSIYSDSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 305.162708216,
'name': u'3-[4-({[trans-4-(Aminomethyl)cyclohexyl]carbonyl}oxy)phenyl]propanoic acid\nBenzenepropanoic acid, 4-[[[trans-4-(aminomethyl)cyclohexyl]carbonyl]oxy]-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'2423d9d7de424c169807eb3ea0b5b17f',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C17H23NO4',
'functional_sets': [],
'head_id': u'7f808ec905d14cbc85b6a88356979f53',
'inchi': u'InChI=1S/C17H23NO4/c18-11-13-1-6-14(7-2-13)17(21)22-15-8-3-12(4-9-15)5-10-16(19)20/h3-4,8-9,13-14H,1-2,5-7,10-11,18H2,(H,19,20)/t13?,14-',
'inchi_key': u'FHRSHSOEWXUORL-XPIONCDUSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 305.162708216,
'name': u'3-[4-({[trans-4-(Aminomethyl)cyclohexyl]carbonyl}oxy)phenyl]propanoic acid\nBenzenepropanoic acid, 4-[[[trans-4-(aminomethyl)cyclohexyl]carbonyl]oxy]-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'7f808ec905d14cbc85b6a88356979f53',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C18H14N2O7',
'functional_sets': [],
'head_id': u'235d8dd7151d4cd8981a3d32cdfde746',
'inchi': u'InChI=1S/C18H14N2O7/c1-18(27)16(25)11-9(15(24)17(18)26)8-10(12(11)20-19)14(23)7-5(13(8)22)3-2-4-6(7)21/h2-4,15-17,24-27H,1H3,(H-,21,22,23)',
'inchi_key': u'PBAYJNKURMMTNH-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 370.0801007879998,
'name': u'1H-Benzo[b]fluorene-11-diazonium, 2,3,4,9-tetrahydro-1,2,3,4,5,10-hexahydroxy-2-methyl-9-oxo-, inner salt\n11-Diazonio-1,2,3,4,10-pentahydroxy-2-methyl-9-oxo-2,3,4,9-tetrahydro-1H-benzo[b]fluoren-5-olate',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'235d8dd7151d4cd8981a3d32cdfde746',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C18H14N4O5S',
'functional_sets': [],
'head_id': u'f012dc05007847b0bf6fa4653a4f4753',
'inchi': u'InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)',
'inchi_key': u'NCEXYHBECQHGNR-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 398.06849054799994,
'name': u'',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'f012dc05007847b0bf6fa4653a4f4753',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C18H14N4O5S',
'functional_sets': [],
'head_id': u'21ad58552da94e82b96df601d003c22e',
'inchi': u'InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)/b21-20+',
'inchi_key': u'NCEXYHBECQHGNR-QZQOTICOSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 398.06849054799994,
'name': u'2-Hydroxy-5-{(E)-[4-(2-pyridinylsulfamoyl)phenyl]diazenyl}benzoic acid\nBenzoic acid, 2-hydroxy-5-[(E)-2-[4-[(2-pyridinylamino)sulfonyl]phenyl]diazenyl]-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'21ad58552da94e82b96df601d003c22e',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C18H16O7',
'functional_sets': [],
'head_id': u'985a833101ee4935aaf06a5697de4b87',
'inchi': u'InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,22-24H,1-4H3/t18-/m1/s1',
'inchi_key': u'ICTZCAHDGHPRQR-GOSISDBHSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 344.08960285199987,
'name': u'(9bR)-2,6-Diacetyl-1,7,9-trihydroxy-8,9b-dimethyldibenzo[b,d]furan-3(9bH)-one\n3(9bH)-Dibenzofuranone, 2,6-diacetyl-1,7,9-trihydroxy-8,9b-dimethyl-, (9bR)-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'985a833101ee4935aaf06a5697de4b87',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C18H19Cl2NO4',
'functional_sets': [],
'head_id': u'4e56c3c50967472da68a41a7939aa3f3',
'inchi': u'InChI=1S/C18H19Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8,15,23H,5H2,1-4H3/b18-14+',
'inchi_key': u'FFVFHTOPUHZSGD-NBVRZTHBSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 383.06911344799994,
'name': u'Methyl 4-(2,3-dichlorophenyl)-5-[ethoxy(hydroxy)methylene]-2,6-dimethyl-4,5-dihydro-3-pyridinecarboxylate\n3-Pyridinecarboxylic acid, 4-(2,3-dichlorophenyl)-5-(ethoxyhydroxymethylene)-4,5-dihydro-2,6-dimethyl-, methyl ester',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'4e56c3c50967472da68a41a7939aa3f3',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C18H19ClN4',
'functional_sets': [],
'head_id': u'0d20de07ae2d496eb0b7c3158a1e9144',
'inchi': u'InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3',
'inchi_key': u'QZUDBNBUXVUHMW-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 326.1298242880001,
'name': u'8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine\n5H-Dibenzo[b,e][1,4]diazepine, 8-chloro-11-(4-methyl-1-piperazinyl)-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'0d20de07ae2d496eb0b7c3158a1e9144',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C18H20N2O6',
'functional_sets': [],
'head_id': u'4fca19fa2bee4263a0ed8b4264aa1ba3',
'inchi': u'InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,22H,5H2,1-4H3/b18-15+',
'inchi_key': u'OYFHPBSUARUOQE-OBGWFSINSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 360.13213635999983,
'name': u'Methyl (5Z)-5-[ethoxy(hydroxy)methylene]-2,6-dimethyl-4-(3-nitrophenyl)-4,5-dihydro-3-pyridinecarboxylate\n3-Pyridinecarboxylic acid, 5-(ethoxyhydroxymethylene)-4,5-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl ester, (5Z)-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'4fca19fa2bee4263a0ed8b4264aa1ba3',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C19H14O7',
'functional_sets': [],
'head_id': u'e8c7df2b6b944e0cb476990f2bb25e9b',
'inchi': u'InChI=1S/C19H14O7/c1-8-6-10(19(24)25)14(12(7-8)26-2)15-16(21)9-4-3-5-11(20)13(9)17(22)18(15)23/h3-7,20,23H,1-2H3,(H,24,25)',
'inchi_key': u'PBKZJIMGHNPKBJ-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 354.0739527879999,
'name': u'Benzoic acid, 2-(1,4-dihydro-3,5-dihydroxy-1,4-dioxo-2-naphthalenyl)-3-methoxy-5-methyl-\n2-(3,5-Dihydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-3-methoxy-5-methylbenzoic acid',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'e8c7df2b6b944e0cb476990f2bb25e9b',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C19H16O4',
'functional_sets': [],
'head_id': u'1274c3053e2d4ce5b75f8bd4358152af',
'inchi': u'InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,22H,11H2,1H3',
'inchi_key': u'QTXVAVXCBMYBJW-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 308.10485899199995,
'name': u'2-Hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one\n4H-1-Benzopyran-4-one, 2-hydroxy-3-(3-oxo-1-phenylbutyl)-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'1274c3053e2d4ce5b75f8bd4358152af',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C19H20N2O3',
'functional_sets': [],
'head_id': u'9b946802973d4046b3c92bc020793eab',
'inchi': u'InChI=1S/C19H20N2O3/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17/h1-4,9,11-14,20H,5-8,10H2/t11-,12+,13-,14-',
'inchi_key': u'UKTAZPQNNNJVKR-YXSUXZIUSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 324.1473924999999,
'name': u'(1r,3R,5r,7S)-10-Oxo-8-azatricyclo[5.3.1.0~3,8~]undec-5-yl 1H-indole-3-carboxylate\n1H-Indole-3-carboxylic acid, (6R,9aS)-octahydro-3-oxo-2,6-methano-2H-quinolizin-8-yl ester',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'9b946802973d4046b3c92bc020793eab',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C19H21N3O5',
'functional_sets': [],
'head_id': u'45bb41d76cbd4a489931e19dda94dc23',
'inchi': u'InChI=1S/C19H21N3O5/c1-9(2)26-19(24)15-11(4)20-10(3)14(18(23)25-5)16(15)12-7-6-8-13-17(12)22-27-21-13/h6-9,16,23H,1-5H3/b18-14+',
'inchi_key': u'MSKAFRMBWXTPHY-NBVRZTHBSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 371.1481207719999,
'name': u'Isopropyl (5Z)-4-(2,1,3-benzoxadiazol-4-yl)-5-[hydroxy(methoxy)methylene]-2,6-dimethyl-4,5-dihydro-3-pyridinecarboxylate\n3-Pyridinecarboxylic acid, 4-(2,1,3-benzoxadiazol-4-yl)-4,5-dihydro-5-(hydroxymethoxymethylene)-2,6-dimethyl-, 1-methylethyl ester, (5Z)-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'45bb41d76cbd4a489931e19dda94dc23',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C19H27NO3',
'functional_sets': [],
'head_id': u'98a2e60bd41042b3bbe5e0aacf7aed42',
'inchi': u'InChI=1S/C19H27NO3/c1-13(2)15-8-10-16(11-9-15)18(21)20-17(19(22)23)12-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,20,21)(H,22,23)/t15-,16-,17-/m1/s1',
'inchi_key': u'OELFLUMRDSZNSF-BRWVUGGUSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 317.19909372399997,
'name': u'N-[(trans-4-Isopropylcyclohexyl)carbonyl]-D-phenylalanine\nD-Phenylalanine, N-[[trans-4-(1-methylethyl)cyclohexyl]carbonyl]-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'98a2e60bd41042b3bbe5e0aacf7aed42',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C19H29NO3',
'functional_sets': [],
'head_id': u'2ea0ee9ae94040e3a36fbf6d2f1af1fb',
'inchi': u'InChI=1S/C19H29NO3/c1-3-4-5-9-12-15-16(21)20-19(17(22)23-18(15,19)2)13-14-10-7-6-8-11-14/h7,10,14-15H,3-6,8-9,11-13H2,1-2H3,(H,20,21)',
'inchi_key': u'HRIJMKFCVROBTA-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 319.21474378799996,
'name': u'(1R,4R,5S)-1-[(1R)-2-Cyclohexen-1-ylmethyl]-4-hexyl-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione\n6-Oxa-2-azabicyclo[3.2.0]heptane-3,7-dione, 1-[(1R)-2-cyclohexen-1-ylmethyl]-4-hexyl-5-methyl-, (1R,4R,5S)-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'2ea0ee9ae94040e3a36fbf6d2f1af1fb',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C19H40NO7P',
'functional_sets': [],
'head_id': u'5023ef5f10a04400984300858ec583f5',
'inchi': u'InChI=1S/C19H40NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(22)27-18(16-21)17-26-28(23,24)25-15-14-20/h18,21H,2-17,20H2,1H3,(H,23,24)',
'inchi_key': u'DDUZNLUWXLYPCP-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 425.25423924999984,
'name': u'(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl myristate\nTetradecanoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-(hydroxymethyl)ethyl ester',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'5023ef5f10a04400984300858ec583f5',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C20H11N3O4',
'functional_sets': [],
'head_id': u'9b1f0d6fdb59455eb7582737600ce11b',
'inchi': u'InChI=1S/C20H11N3O4/c24-7-1-2-9-12(4-7)22-19-15(9)16-11(6-21-20(16)27)14-10-3-8(25)5-13(26)17(10)23-18(14)19/h3-4,6,22,27H,1-2,5H2',
'inchi_key': u'ZQKDDOSHDQJUAO-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 357.07495583199994,
'name': u'7-Hydroxy-8,12-dihydro-1H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-1,3,10(2H,9H)-trione\n1H-Indolo[2,3-a]pyrrolo[3,4-c]carbazole-1,3,10(2H,9H)-trione, 8,12-dihydro-7-hydroxy-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'9b1f0d6fdb59455eb7582737600ce11b',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C20H14FN3O',
'functional_sets': [],
'head_id': u'99834ae17b63440e8de13a2ae82e714d',
'inchi': u'InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)',
'inchi_key': u'QHKYPYXTTXKZST-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 331.11209028800005,
'name': u'4-[4-(4-Fluorophenyl)-5-(4-pyridinyl)-1H-imidazol-2-yl]phenol\nPhenol, 4-[5-(4-fluorophenyl)-4-(4-pyridinyl)-1H-imidazol-2-yl]-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'99834ae17b63440e8de13a2ae82e714d',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C20H16N2O5',
'functional_sets': [],
'head_id': u'7dbcd46f4739495eb42fc49d5c7aff50',
'inchi': u'InChI=1S/C20H16N2O5/c1-2-20(26)13-7-15-17-10(6-11-14(21-17)4-3-5-16(11)23)8-22(15)18(24)12(13)9-27-19(20)25/h3-7,23,26H,2,8-9H2,1H3/t20-/m0/s1',
'inchi_key': u'LCZZWLIDINBPRC-FQEVSTJZSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 364.10592161199986,
'name': u"1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4,10-dihydroxy-, (4S)-\n(4S)-4-Ethyl-4,10-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione",
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'7dbcd46f4739495eb42fc49d5c7aff50',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C20H20N2O3',
'functional_sets': [],
'head_id': u'adcb215f4f5247b28af7ed6279a3b066',
'inchi': u'InChI=1S/C20H20N2O3/c1-9(23)14-18(24)17-16-11-8-21-13-6-4-5-10(15(11)13)7-12(16)20(2,3)22(17)19(14)25/h4-6,8,12,16-17,21,23H,7H2,1-3H3/b14-9-/t12-,16+,17+/m1/s1',
'inchi_key': u'CNZIQHGDUXRUJS-PTNHGACKSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 336.1473924999999,
'name': u"(6aR,10Z,11aS,11bR)-10-(1-Hydroxyethylidene)-7,7-dimethyl-6a,7,11a,11b-tetrahydro-6H-pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indole-9,11(2H,10H)-dione\n6H-Pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indole-9,11(2H,10H)-dione, 6a,7,11a,11b-tetrahydro-10-(1-hydroxyethylidene)-7,7-dimethyl-, (6aR,10Z,11aS,11bR)-",
'neutralized_2d_inchi': u'',
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'unique_id': u'adcb215f4f5247b28af7ed6279a3b066',
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'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C20H23NO6',
'functional_sets': [],
'head_id': u'52947155adc441f4a9d9750db8af584a',
'inchi': u'InChI=1S/C20H23NO6/c1-12-8-19(23)27-17-9-15(6-7-16(12)17)26-11-18(22)21-10-13-2-4-14(5-3-13)20(24)25/h6-9,13-14H,2-5,10-11H2,1H3,(H,21,22)(H,24,25)/t13-,14-',
'inchi_key': u'YLCKQNHDIIGLSU-HDJSIYSDSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 373.1525374559999,
'name': u'trans-4-[({[(4-Methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl]amino]methyl]-, trans-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
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'unique_id': u'52947155adc441f4a9d9750db8af584a',
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'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C20H23NO6',
'functional_sets': [],
'head_id': u'ba8260a532bf412c96be53be96de9f6d',
'inchi': u'InChI=1S/C20H23NO6/c1-12(19(23)21-11-13-2-4-15(5-3-13)20(24)25)26-16-8-6-14-7-9-18(22)27-17(14)10-16/h6-10,12-13,15H,2-5,11H2,1H3,(H,21,23)(H,24,25)/t12?,13-,15-',
'inchi_key': u'SCMRAVQXCAHESR-ITGFMWSFSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 373.1525374559999,
'name': u'trans-4-[({2-[(2-Oxo-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[1-oxo-2-[(2-oxo-2H-1-benzopyran-7-yl)oxy]propyl]amino]methyl]-, trans-',
'neutralized_2d_inchi': u'',
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'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
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'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C20H25ClN2O5',
'functional_sets': [],
'head_id': u'937cec6222254766a4bb3de244a477e7',
'inchi': u'InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,25H,4,9-11,22H2,1-3H3/b20-18+',
'inchi_key': u'VNTNQZVUQJROCO-CZIZESTLSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 408.14519957999994,
'name': u'3-Pyridinecarboxylic acid, 6-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-5-(ethoxyhydroxymethylene)-4,5-dihydro-2-methyl-, methyl ester, (5Z)-\nMethyl (5Z)-6-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-5-[ethoxy(hydroxy)methylene]-2-methyl-4,5-dihydro-3-pyridinecarboxylate',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
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'synonyms': u'',
'unique_id': u'937cec6222254766a4bb3de244a477e7',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C20H26N2O4S2',
'functional_sets': [],
'head_id': u'bff618fd1ca84d68abd4c4bd1f8d67c9',
'inchi': u'InChI=1S/C20H26N2O4S2/c1-12(2)19-22-15(11-28-19)20-21-14(10-27-20)7-8-16(24-4)13(3)17(25-5)9-18(23)26-6/h7-13,16H,1-6H3',
'inchi_key': u'LRTJMINIVSPVMX-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 422.1333993119999,
'name': u"Methyl (2E,4R,5S,6E)-7-(2'-isopropyl-2,4'-bi-1,3-thiazol-4-yl)-3,5-dimethoxy-4-methyl-2,6-heptadienoate\n2,6-Heptadienoic acid, 3,5-dimethoxy-4-methyl-7-[2'-(1-methylethyl)[2,4'-bithiazol]-4-yl]-, methyl ester, (2E,4R,5S,6E)-",
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
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'synonyms': u'',
'unique_id': u'bff618fd1ca84d68abd4c4bd1f8d67c9',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C20H29N3O4S',
'functional_sets': [],
'head_id': u'18179c2c4d774fa28118db15e4b16e5c',
'inchi': u'InChI=1S/C20H29N3O4S/c1-28-9-8-16(21)20(25)22-11-13-2-4-14(5-3-13)19(24)23-15-6-7-17-18(10-15)27-12-26-17/h6-7,10,13-14,16H,2-5,8-9,11-12,21H2,1H3,(H,22,25)(H,23,24)/t13-,14-,16-/m0/s1',
'inchi_key': u'WNZLJUQGEOKOJG-DZKIICNBSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 407.18787740799996,
'name': u'trans-N-(1,3-Benzodioxol-5-yl)-4-[(L-methionylamino)methyl]cyclohexanecarboxamide\nCyclohexanecarboxamide, 4-[[[(2S)-2-amino-4-(methylthio)-1-oxobutyl]amino]methyl]-N-1,3-benzodioxol-5-yl-, trans-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
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'synonyms': u'',
'unique_id': u'18179c2c4d774fa28118db15e4b16e5c',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C21H15N3O4',
'functional_sets': [],
'head_id': u'b1c2513bf1b4449f873595fba450e910',
'inchi': u'InChI=1S/C21H15N3O4/c25-17-7-3-1-5-15(17)19-22-20(16-6-2-4-8-18(16)26)24(23-19)14-11-9-13(10-12-14)21(27)28/h1-12,25-26H,(H,27,28)',
'inchi_key': u'BOFQWVMAQOTZIW-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 373.10625596,
'name': u'4-[3,5-Bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]benzoic acid\nBenzoic acid, 4-[3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
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'synonyms': u'',
'unique_id': u'b1c2513bf1b4449f873595fba450e910',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C21H20O10',
'functional_sets': [],
'head_id': u'd581a390ef0a42cf81c3b61d58385aad',
'inchi': u'InChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/t16-,17-,18+,19-,21-/m1/s1',
'inchi_key': u'ABVCUBUIXWJYSE-GQUPQBGVSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 432.10564683999974,
'name': u'5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-chromeniumyl beta-D-glucopyranoside\nbeta-D-Glucopyranoside, 5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium-3-yl',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
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'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'd581a390ef0a42cf81c3b61d58385aad',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C21H20O10',
'functional_sets': [],
'head_id': u'77aef88b814d42219ff38cd4548b310d',
'inchi': u'InChI=1S/C21H20O10/c22-8-17-18(26)19(27)20(28)21(31-17)30-16-7-10(23)6-15-11(16)2-4-14(29-15)9-1-3-12(24)13(25)5-9/h1-7,17-22,26-28H,8H2,(H2-,23,24,25)/t17-,18-,19+,20-,21-/m1/s1',
'inchi_key': u'RXQNESSHTIRLBK-YMQHIKHWSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 432.10564683999974,
'name': u'2-(3,4-Dihydroxyphenyl)-7-hydroxy-5-chromeniumyl beta-D-glucopyranoside\nbeta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzopyrylium-5-yl',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
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'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'77aef88b814d42219ff38cd4548b310d',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C21H20O11',
'functional_sets': [],
'head_id': u'6a3a71712dcb45c7953230e61d2c185b',
'inchi': u'InChI=1S/C21H20O11/c22-7-15-18(27)19(28)20(29)21(32-15)30-9-5-12(25)16-13(6-9)31-14(17(16)26)4-8-1-2-10(23)11(24)3-8/h1-6,15,18-25,27-29H,7H2',
'inchi_key': u'AMJCTDBATIKENQ-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 448.1005614599997,
'name': u'3(2H)-Benzofuranone, 2-[(3,4-dihydroxyphenyl)methylene]-6-(beta-D-glucopyranosyloxy)-4-hydroxy-, (2Z)-\n(2Z)-2-(3,4-Dihydroxybenzylidene)-4-hydroxy-3-oxo-2,3-dihydro-1-benzofuran-6-yl beta-D-glucopyranoside',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
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'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'6a3a71712dcb45c7953230e61d2c185b',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C21H20O11',
'functional_sets': [],
'head_id': u'f64bad3bbdf5439b865cda43d1f2c14e',
'inchi': u'InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/t16-,17-,18+,19-,21-/m1/s1',
'inchi_key': u'RKWHWFONKJEUEF-GQUPQBGVSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 448.1005614599997,
'name': u'beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl, inner salt\n2-(3,4-Dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-7-hydroxy-5-chromeniumolate',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
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'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'f64bad3bbdf5439b865cda43d1f2c14e',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C21H20O11',
'functional_sets': [],
'head_id': u'9eaf94f280a2401daee820badc6e9a42',
'inchi': u'InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/t16-,17+,18+,19-,21-/m1/s1',
'inchi_key': u'RKWHWFONKJEUEF-WVXKDWSHSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 448.1005614599997,
'name': u'beta-D-Galactopyranoside, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl, inner salt\n2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-7-hydroxy-5-chromeniumolate',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
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'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'9eaf94f280a2401daee820badc6e9a42',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C21H20O12',
'functional_sets': [],
'head_id': u'9881ba303be34ce9a322e48659674e67',
'inchi': u'InChI=1S/C21H20O12/c22-6-12(27)19-16(29)17(30)21(32-19)33-20-15(28)14-11(26)4-8(23)5-13(14)31-18(20)7-1-2-9(24)10(25)3-7/h1-5,12,16-17,19,21-27,29-30H,6H2',
'inchi_key': u'OPJZLUXFQFQYAI-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 464.0954760799997,
'name': u'2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl beta-D-glucofuranoside\n4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'9881ba303be34ce9a322e48659674e67',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C21H20O12',
'functional_sets': [],
'head_id': u'63d248ba51624bdf942b868886d8a7be',
'inchi': u'InChI=1S/C21H20O12/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27)/t15-,17-,18+,19-,21-/m1/s1',
'inchi_key': u'XENHPQQLDPAYIJ-PEVLUNPASA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 464.0954760799997,
'name': u'5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-chromeniumyl beta-D-glucopyranoside\nbeta-D-Glucopyranoside, 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium-3-yl',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'63d248ba51624bdf942b868886d8a7be',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C21H20O9',
'functional_sets': [],
'head_id': u'36be32accc0046a99d03342200f5632a',
'inchi': u'InChI=1S/C21H20O9/c22-9-17-18(25)19(26)20(27)21(30-17)29-16-8-12(24)7-15-13(16)5-6-14(28-15)10-1-3-11(23)4-2-10/h1-8,17-22,25-27H,9H2,(H-,23,24)/t17-,18-,19+,20-,21-/m1/s1',
'inchi_key': u'SRKBASTXQAAMHZ-YMQHIKHWSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 416.11073221999976,
'name': u'',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'36be32accc0046a99d03342200f5632a',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C21H24ClNO6',
'functional_sets': [],
'head_id': u'ef23a3821219449fab4cbff823845b6d',
'inchi': u'InChI=1S/C21H24ClNO6/c1-11-7-19(24)29-17-9-18(16(22)8-15(11)17)28-12(2)20(25)23-10-13-3-5-14(6-4-13)21(26)27/h7-9,12-14H,3-6,10H2,1-2H3,(H,23,25)(H,26,27)/t12?,13-,14-',
'inchi_key': u'BFYMPCVNAMZPLB-KAOCOCSGSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 421.12921516799986,
'name': u'trans-4-[({2-[(6-Chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'ef23a3821219449fab4cbff823845b6d',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C21H25NO6',
'functional_sets': [],
'head_id': u'b069c93981df4997949b95ecd89c687e',
'inchi': u'InChI=1S/C21H25NO6/c1-12-7-16(20-13(2)9-19(24)28-17(20)8-12)27-11-18(23)22-10-14-3-5-15(6-4-14)21(25)26/h7-9,14-15H,3-6,10-11H2,1-2H3,(H,22,23)(H,25,26)/t14-,15-',
'inchi_key': u'WKVKJOYONAXNFU-SHTZXODSSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 387.1681875199999,
'name': u'Cyclohexanecarboxylic acid, 4-[[[2-[(4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]acetyl]amino]methyl]-, trans-\ntrans-4-[({[(4,7-Dimethyl-2-oxo-2H-chromen-5-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
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'synonyms': u'',
'unique_id': u'b069c93981df4997949b95ecd89c687e',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C21H25NO6',
'functional_sets': [],
'head_id': u'ed3196c4a01b48a890f7650dd5ede7a8',
'inchi': u'InChI=1S/C21H25NO6/c1-12-9-19(23)28-18-10-16(7-8-17(12)18)27-13(2)20(24)22-11-14-3-5-15(6-4-14)21(25)26/h7-10,13-15H,3-6,11H2,1-2H3,(H,22,24)(H,25,26)/t13?,14-,15-',
'inchi_key': u'GCWSGQPKIODBTC-NJIVVBIYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 387.1681875199999,
'name': u'trans-4-[({2-[(4-Methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
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'synonyms': u'',
'unique_id': u'ed3196c4a01b48a890f7650dd5ede7a8',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C21H25NO6',
'functional_sets': [],
'head_id': u'4bf69f3389ae427f835e99769f2ffeda',
'inchi': u'InChI=1S/C21H25NO6/c1-12-9-19(24)28-20-13(2)17(8-7-16(12)20)27-11-18(23)22-10-14-3-5-15(6-4-14)21(25)26/h7-9,14-15H,3-6,10-11H2,1-2H3,(H,22,23)(H,25,26)/t14-,15-',
'inchi_key': u'IYECSNOPLWSURQ-SHTZXODSSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 387.1681875199999,
'name': u'Cyclohexanecarboxylic acid, 4-[[[2-[(4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl]amino]methyl]-, trans-\ntrans-4-[({[(4,8-Dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
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'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'4bf69f3389ae427f835e99769f2ffeda',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C21H25NO6',
'functional_sets': [],
'head_id': u'dcb50c96534546fcaa6c493cda4ec259',
'inchi': u'InChI=1S/C21H25NO6/c1-2-14-9-20(24)28-18-10-16(7-8-17(14)18)27-12-19(23)22-11-13-3-5-15(6-4-13)21(25)26/h7-10,13,15H,2-6,11-12H2,1H3,(H,22,23)(H,25,26)/t13-,15-',
'inchi_key': u'VAINHEDGSJOOKU-CTYIDZIISA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 387.1681875199999,
'name': u'trans-4-[({[(4-Ethyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(4-ethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl]amino]methyl]-, trans-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'dcb50c96534546fcaa6c493cda4ec259',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C21H26N2O7',
'functional_sets': [],
'head_id': u'2a9c80af65fd4f949f77feaf34cf7fad',
'inchi': u'InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,24H,9-10H2,1-5H3/b20-17+',
'inchi_key': u'FXLASALIDJKUIQ-LVZFUZTISA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 418.17400117199986,
'name': u'Isopropyl (5Z)-5-[hydroxy(2-methoxyethoxy)methylene]-2,6-dimethyl-4-(3-nitrophenyl)-4,5-dihydro-3-pyridinecarboxylate\n3-Pyridinecarboxylic acid, 4,5-dihydro-5-[hydroxy(2-methoxyethoxy)methylene]-2,6-dimethyl-4-(3-nitrophenyl)-, 1-methylethyl ester, (5Z)-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'2a9c80af65fd4f949f77feaf34cf7fad',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C21H29NO3',
'functional_sets': [],
'head_id': u'6e83a2cee88640bfa425d448618c7e4c',
'inchi': u'InChI=1S/C21H29NO3/c1-12-6-5-7-17-20(12,3)9-8-13(2)21(17,4)11-14-18(24)15(22)10-16(23)19(14)25/h10,13,17,25H,1,5-9,11,22H2,2-4H3/t13-,17+,20+,21+/m0/s1',
'inchi_key': u'LTNUWWZNTOSEML-NUATZEMDSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 343.21474378799996,
'name': u'2,5-Cyclohexadiene-1,4-dione, 5-amino-3-[[(1R,2S,4aS,8aS)-decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl]methyl]-2-hydroxy-\n5-Amino-2-hydroxy-3-{[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylenedecahydro-1-naphthalenyl]methyl}-1,4-benzoquinone',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'6e83a2cee88640bfa425d448618c7e4c',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C21H30O5',
'functional_sets': [],
'head_id': u'f6b3631b9a4b484e9a91b25d57a1ab8f',
'inchi': u'InChI=1S/C21H30O5/c1-12(2)7-8-15-18(23)17(16(22)11-14(5)6)20(25)21(26,19(15)24)10-9-13(3)4/h7,9,14,24-26H,8,10-11H2,1-6H3/t21-/m1/s1',
'inchi_key': u'RMFGNMMNUZWCRZ-OAQYLSRUSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 362.20932405999986,
'name': u'2,5-Cyclohexadien-1-one, 3,4,5-trihydroxy-2,4-bis(3-methyl-2-buten-1-yl)-6-(3-methyl-1-oxobutyl)-, (4R)-\n(4R)-3,4,5-Trihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methyl-2-buten-1-yl)-2,5-cyclohexadien-1-one',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'f6b3631b9a4b484e9a91b25d57a1ab8f',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C22H17N5O8',
'functional_sets': [],
'head_id': u'185bb9590d904019b2aa416d15997fd0',
'inchi': u'InChI=1S/C22H17N5O8/c1-32-8-4-9-12(16-11(8)6-2-3-7(28)10(6)20(31)34-16)13-15(29)19(35-21(13)33-9)27-5-24-17-14(27)18(30)26-22(23)25-17/h4-5,13,15,19,21,29H,2-3H2,1H3,(H3,23,25,26,30)',
'inchi_key': u'XIOUDSNTNJNQQG-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 479.10771250399995,
'name': u"Cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione, 8-(2-amino-3,6-dihydro-6-oxo-7H-purin-7-yl)-2,3,6a,8,9,9a-hexahydro-9-hydroxy-4-methoxy-\n8-(2-Amino-6-oxo-3,6-dihydro-7H-purin-7-yl)-9-hydroxy-4-methoxy-2,3,6a,8,9,9a-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione",
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'185bb9590d904019b2aa416d15997fd0',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C22H18N4O5',
'functional_sets': [],
'head_id': u'c991849a9749496db280bb3b2f68962f',
'inchi': u'InChI=1S/C22H18N4O5/c1-12-18(27)25-16-9-5-3-7-14(16)22(21(25)26(12)30)10-17(20(29)31-22)24-11-23-15-8-4-2-6-13(15)19(24)28/h2-9,11-12,17,21,30H,10H2,1H3',
'inchi_key': u'LSEZQEFBFFRCNW-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 418.12771967599997,
'name': u"Spiro[furan-2(5H),9'-[9H]imidazo[1,2-a]indole]-3',5(2'H)-dione, 1',3,4,9'a-tetrahydro-1'-hydroxy-2'-methyl-4-(4-oxo-3(4H)-quinazolinyl)-\n1'-Hydroxy-2'-methyl-4-(4-oxo-3(4H)-quinazolinyl)-1',9a'-dihydro-3H-spiro[furan-2,9'-imidazo[1,2-a]indole]-3',5(2'H,4H)-dione",
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'c991849a9749496db280bb3b2f68962f',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C22H19ClO3',
'functional_sets': [],
'head_id': u'1b05afe9eace40a7a1db56449ef011b5',
'inchi': u'InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,26H,5-8H2/t13-,15-',
'inchi_key': u'KUCQYCKVKVOKAY-CTYIDZIISA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 366.10227214799994,
'name': u'1,4-Naphthalenedione, 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-\n2-[trans-4-(4-Chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthoquinone',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'1b05afe9eace40a7a1db56449ef011b5',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C22H24N2O9',
'functional_sets': [],
'head_id': u'8715352c274d4de0b2f9e82c78d1bcb9',
'inchi': u'InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25,28-30,32-33H,1-3H3,(H2,23,31)',
'inchi_key': u'KTUXFHGUHYRDNF-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 460.1481803479998,
'name': u'4-(Dimethylamino)-1,5,6,10,12,12a-hexahydroxy-6-methyl-3,11-dioxo-3,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide\n2-Naphthacenecarboxamide, 4-(dimethylamino)-3,4,4a,5,5a,6,11,12a-octahydro-1,5,6,10,12,12a-hexahydroxy-6-methyl-3,11-dioxo-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'8715352c274d4de0b2f9e82c78d1bcb9',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C22H26ClNO6',
'functional_sets': [],
'head_id': u'0e43655816e64fbcbf054c4692dcb253',
'inchi': u'InChI=1S/C22H26ClNO6/c1-3-14-8-20(25)30-18-10-19(17(23)9-16(14)18)29-12(2)21(26)24-11-13-4-6-15(7-5-13)22(27)28/h8-10,12-13,15H,3-7,11H2,1-2H3,(H,24,26)(H,27,28)/t12?,13-,15-',
'inchi_key': u'PRJMUHABANULGT-ITGFMWSFSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 435.14486523199986,
'name': u'trans-4-[({2-[(6-Chloro-4-ethyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(6-chloro-4-ethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'0e43655816e64fbcbf054c4692dcb253',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C22H27N3O7S',
'functional_sets': [],
'head_id': u'a75a9a8878f0486dbdbf32a5ef85574a',
'inchi': u'InChI=1S/C22H27N3O7S/c1-13-6-7-18-21(29)23-8-4-2-3-5-14(26)9-15(27)10-19-24-16(11-31-19)20(28)25-17(12-33-18)22(30)32-13/h2-5,7,11,13-15,17,26-27H,6,8-10,12H2,1H3,(H,23,29)(H,25,28)',
'inchi_key': u'UXWOXTQWVMFRSE-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 477.15697120399994,
'name': u'(1S,9S,11S,19Z,22R)-9,11-Dihydroxy-22-methyl-6,23-dioxa-26-thia-2,17,27-triazatricyclo[17.5.2.1~4,7~]heptacosa-4,7(27),12,14,19-pentaene-3,18,24-trione\n6,23-Dioxa-26-thia-2,17,27-triazatricyclo[17.5.2.1~4,7~]heptacosa-4,7(27),12,14,19-pentaene-3,18,24-trione, 9,11-dihydroxy-22-methyl-, (1S,9S,11S,19Z,22R)-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'a75a9a8878f0486dbdbf32a5ef85574a',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C22H27NO6',
'functional_sets': [],
'head_id': u'f84a9ca13fff49ba8283b69941570549',
'inchi': u'InChI=1S/C22H27NO6/c1-12-8-17(20-13(2)10-19(24)29-18(20)9-12)28-14(3)21(25)23-11-15-4-6-16(7-5-15)22(26)27/h8-10,14-16H,4-7,11H2,1-3H3,(H,23,25)(H,26,27)/t14?,15-,16-',
'inchi_key': u'XWURMJXPBINAQM-KURUOMIPSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 401.1838375839999,
'name': u'trans-4-[({2-[(4,7-Dimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
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'neutralized_inchi_key': u'',
'number_components': 0,
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'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C22H27NO6',
'functional_sets': [],
'head_id': u'1e06b38df7b44f6f9c0b5c59b285c1b7',
'inchi': u'InChI=1S/C22H27NO6/c1-12-8-17(20-13(2)14(3)22(27)29-18(20)9-12)28-11-19(24)23-10-15-4-6-16(7-5-15)21(25)26/h8-9,15-16H,4-7,10-11H2,1-3H3,(H,23,24)(H,25,26)/t15-,16-',
'inchi_key': u'XSZBMKCCHHTLGD-WKILWMFISA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 401.1838375839999,
'name': u'trans-4-[({[(3,4,7-Trimethyl-2-oxo-2H-chromen-5-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]acetyl]amino]methyl]-, trans-',
'neutralized_2d_inchi': u'',
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'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
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'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C22H27NO6',
'functional_sets': [],
'head_id': u'4a669de2766e4a65b76f55e80039ab7f',
'inchi': u'InChI=1S/C22H27NO6/c1-2-3-16-10-21(25)29-19-11-17(8-9-18(16)19)28-13-20(24)23-12-14-4-6-15(7-5-14)22(26)27/h8-11,14-15H,2-7,12-13H2,1H3,(H,23,24)(H,26,27)/t14-,15-',
'inchi_key': u'HVHOUBUTSQGNJT-SHTZXODSSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 401.1838375839999,
'name': u'trans-4-[({[(2-Oxo-4-propyl-2H-chromen-7-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(2-oxo-4-propyl-2H-1-benzopyran-7-yl)oxy]acetyl]amino]methyl]-, trans-',
'neutralized_2d_inchi': u'',
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'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
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'unique_id': u'4a669de2766e4a65b76f55e80039ab7f',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C22H27NO6',
'functional_sets': [],
'head_id': u'ad48c02d5ff84f17937ff2bc83700e1a',
'inchi': u'InChI=1S/C22H27NO6/c1-3-15-10-20(25)29-21-13(2)18(9-8-17(15)21)28-12-19(24)23-11-14-4-6-16(7-5-14)22(26)27/h8-10,14,16H,3-7,11-12H2,1-2H3,(H,23,24)(H,26,27)/t14-,16-',
'inchi_key': u'UVQROKPDAKXSPK-KOMQPUFPSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 401.1838375839999,
'name': u'trans-4-[({[(4-Ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(4-ethyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl]amino]methyl]-, trans-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
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'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'ad48c02d5ff84f17937ff2bc83700e1a',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C22H29NO5',
'functional_sets': [],
'head_id': u'898f1a9f9c4f4ca2950ab253daae46cd',
'inchi': u'InChI=1S/C22H29NO5/c1-6-14(2)12-16(4)13-15(3)8-7-9-17(5)18(25)22-19(28-22)21(27,10-11-24)23-20(22)26/h6-9,12-13,19,24,27H,10-11H2,1-5H3,(H,23,26)',
'inchi_key': u'RCJADKVBRBVIEX-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 387.2045730279999,
'name': u'(1R,4S,5R)-4-Hydroxy-4-(2-hydroxyethyl)-1-[(2E,4E,6E,8E,10Z)-2,6,8,10-tetramethyl-2,4,6,8,10-dodecapentaenoyl]-6-oxa-3-azabicyclo[3.1.0]hexan-2-one\n6-Oxa-3-azabicyclo[3.1.0]hexan-2-one, 4-hydroxy-4-(2-hydroxyethyl)-1-[(2E,4E,6E,8E,10Z)-2,6,8,10-tetramethyl-1-oxo-2,4,6,8,10-dodecapentaen-1-yl]-, (1R,4S,5R)-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
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'synonyms': u'',
'unique_id': u'898f1a9f9c4f4ca2950ab253daae46cd',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C22H31NO3',
'functional_sets': [],
'head_id': u'8562765f73dd43d7bca73895454232ee',
'inchi': u'InChI=1S/C22H31NO3/c1-16(15-21(23)24)11-12-17(2)22(26-5)18(3)20(25-4)14-13-19-9-7-6-8-10-19/h6-15,17-18,20,22H,1-5H3,(H2,23,24)',
'inchi_key': u'JCMQQWWEDGWMJB-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 357.23039385199996,
'name': u'2,4,10-Undecatrienamide, 7,9-dimethoxy-3,6,8-trimethyl-11-phenyl-, (2E,4E,6S,7S,8R,9S,10E)-\n(2E,4E,6S,7S,8R,9S,10E)-7,9-Dimethoxy-3,6,8-trimethyl-11-phenyl-2,4,10-undecatrienamide',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
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'synonyms': u'',
'unique_id': u'8562765f73dd43d7bca73895454232ee',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C23H20BrN3O2',
'functional_sets': [],
'head_id': u'5a45613df2234708b0720cf5873a6210',
'inchi': u'InChI=1S/C23H20BrN3O2/c24-15-6-3-5-14(11-15)21-22-18(17-8-1-2-9-19(17)26-22)12-20(27-21)23(28)25-13-16-7-4-10-29-16/h1-3,5-6,8-9,11-12,16,27H,4,7,10,13H2,(H,25,28)',
'inchi_key': u'ZWQHZYLQZNZIFJ-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 449.07388898000005,
'name': u'2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(3-bromophenyl)-N-[(tetrahydro-2-furanyl)methyl]-\n1-(3-Bromophenyl)-N-(tetrahydro-2-furanylmethyl)-2H-beta-carboline-3-carboxamide',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
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'synonyms': u'',
'unique_id': u'5a45613df2234708b0720cf5873a6210',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C23H20ClN3O2',
'functional_sets': [],
'head_id': u'd92d09beb9744e3996b03a9ca0302d05',
'inchi': u'InChI=1S/C23H20ClN3O2/c24-15-6-3-5-14(11-15)21-22-18(17-8-1-2-9-19(17)26-22)12-20(27-21)23(28)25-13-16-7-4-10-29-16/h1-3,5-6,8-9,11-12,16,27H,4,7,10,13H2,(H,25,28)',
'inchi_key': u'MOBVHKOGJXZESP-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 405.12440456,
'name': u'2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(3-chlorophenyl)-N-[(tetrahydro-2-furanyl)methyl]-\n1-(3-Chlorophenyl)-N-(tetrahydro-2-furanylmethyl)-2H-beta-carboline-3-carboxamide',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'd92d09beb9744e3996b03a9ca0302d05',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C23H20FN3O2',
'functional_sets': [],
'head_id': u'897c07e951254813934b6c4ebb047ed4',
'inchi': u'InChI=1S/C23H20FN3O2/c24-15-9-7-14(8-10-15)21-22-18(17-5-1-2-6-19(17)26-22)12-20(27-21)23(28)25-13-16-4-3-11-29-16/h1-2,5-10,12,16,27H,3-4,11,13H2,(H,25,28)',
'inchi_key': u'UTRZMYUYKQTKPQ-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 389.1539551,
'name': u'2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(4-fluorophenyl)-N-[(tetrahydro-2-furanyl)methyl]-\n1-(4-Fluorophenyl)-N-(tetrahydro-2-furanylmethyl)-2H-beta-carboline-3-carboxamide',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
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'synonyms': u'',
'unique_id': u'897c07e951254813934b6c4ebb047ed4',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C23H23NO6',
'functional_sets': [],
'head_id': u'a10d490627564659bef8739383178109',
'inchi': u'InChI=1S/C23H23NO6/c25-21(24-12-14-5-7-15(8-6-14)22(26)27)13-29-16-9-10-18-17-3-1-2-4-19(17)23(28)30-20(18)11-16/h1-4,9-11,14-15H,5-8,12-13H2,(H,24,25)(H,26,27)/t14-,15-',
'inchi_key': u'XHVFBECDJUGMAD-SHTZXODSSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 409.1525374559999,
'name': u'trans-4-[({[(6-Oxo-6H-benzo[c]chromen-3-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(6-oxo-6H-dibenzo[b,d]pyran-3-yl)oxy]acetyl]amino]methyl]-, trans-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
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'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'a10d490627564659bef8739383178109',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C23H24O12',
'functional_sets': [],
'head_id': u'ae5b266635494e599f0bc8faadf452ab',
'inchi': u'InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/t17-,19-,20+,21-,23-/m1/s1',
'inchi_key': u'PXUQTDZNOHRWLI-OXUVVOBNSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 492.1267762079997,
'name': u'beta-D-Glucopyranoside, 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyrylium-3-yl\n5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-chromeniumyl beta-D-glucopyranoside',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
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'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'ae5b266635494e599f0bc8faadf452ab',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C23H27NO6',
'functional_sets': [],
'head_id': u'a4c0011541cf4106bcd18ff6dae5281d',
'inchi': u'InChI=1S/C23H27NO6/c1-13-19(10-9-17-16-3-2-4-18(16)23(28)30-21(13)17)29-12-20(25)24-11-14-5-7-15(8-6-14)22(26)27/h9-10,14-15H,2-8,11-12H2,1H3,(H,24,25)(H,26,27)/t14-,15-',
'inchi_key': u'QNTBHYIWBSPSMN-SHTZXODSSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 413.1838375839999,
'name': u'trans-4-[({[(6-Methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(1,2,3,4-tetrahydro-6-methyl-4-oxobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetyl]amino]methyl]-, trans-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'a4c0011541cf4106bcd18ff6dae5281d',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C23H27NO6',
'functional_sets': [],
'head_id': u'1c045dda905c48949171028fc22b6b2f',
'inchi': u'InChI=1S/C23H27NO6/c1-13-9-18(21-16-3-2-4-17(16)23(28)30-19(21)10-13)29-12-20(25)24-11-14-5-7-15(8-6-14)22(26)27/h9-10,14-15H,2-8,11-12H2,1H3,(H,24,25)(H,26,27)/t14-,15-',
'inchi_key': u'VWGGZKLSAOKBTB-SHTZXODSSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 413.1838375839999,
'name': u'trans-4-[({[(7-Methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(1,2,3,4-tetrahydro-7-methyl-4-oxobenzo[b]cyclopenta[d]pyran-9-yl)oxy]acetyl]amino]methyl]-, trans-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
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'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'1c045dda905c48949171028fc22b6b2f',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C23H28ClNO6',
'functional_sets': [],
'head_id': u'd4446386f79e415b82c073d5d64ea1d2',
'inchi': u'InChI=1S/C23H28ClNO6/c1-3-4-16-9-21(26)31-19-11-20(18(24)10-17(16)19)30-13(2)22(27)25-12-14-5-7-15(8-6-14)23(28)29/h9-11,13-15H,3-8,12H2,1-2H3,(H,25,27)(H,28,29)/t13?,14-,15-',
'inchi_key': u'BXLNVDYRMWRFQD-NJIVVBIYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 449.16051529599986,
'name': u'trans-4-[({2-[(6-Chloro-2-oxo-4-propyl-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(6-chloro-2-oxo-4-propyl-2H-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
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'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'd4446386f79e415b82c073d5d64ea1d2',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C23H29NO12',
'functional_sets': [],
'head_id': u'7a29df167fc0494e80538a035db668c0',
'inchi': u'InChI=1S/C23H29NO12/c1-8(22(32)24-13-14(27)16(29)21-20(15(13)28)33-7-34-21)5-10-3-4-12(11(26)6-10)35-23-18(31)17(30)19(36-23)9(2)25/h3-6,13-21,23,26-31H,7H2,1-2H3,(H,24,32)',
'inchi_key': u'YQYJSBFKSSDGFO-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 511.16897536799974,
'name': u'2-Propenamide, 3-[4-[(6-deoxy-beta-D-arabino-hexofuranosyl-5-ulose)oxy]-3-hydroxyphenyl]-N-[(3aS,4R,5R,6S,7R,7aR)-hexahydro-4,6,7-trihydroxy-1,3-benzodioxol-5-yl]-2-methyl-, (2E)-\n(2E)-3-{4-[(6-Deoxy-beta-D-arabino-hexofuranosyl-5-ulose)oxy]-3-hydroxyphenyl}-2-methyl-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxyhexahydro-1,3-benzodioxol-5-yl]acrylamide',
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'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C23H29NO6',
'functional_sets': [],
'head_id': u'9fad172bf0c744e5b1ef399b573e5952',
'inchi': u'InChI=1S/C23H29NO6/c1-12-9-18(20-13(2)14(3)23(28)30-19(20)10-12)29-15(4)21(25)24-11-16-5-7-17(8-6-16)22(26)27/h9-10,15-17H,5-8,11H2,1-4H3,(H,24,25)(H,26,27)/t15?,16-,17-',
'inchi_key': u'QPVOVGVGTKDJHA-ATBAIXNZSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 415.1994876479999,
'name': u'trans-4-[({2-[(3,4,7-Trimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[1-oxo-2-[(3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]propyl]amino]methyl]-, trans-',
'neutralized_2d_inchi': u'',
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'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C23H29NO6',
'functional_sets': [],
'head_id': u'5b6a6fbfdcc944db83ccf1892b806c5a',
'inchi': u'InChI=1S/C23H29NO6/c1-2-3-4-17-11-22(26)30-20-12-18(9-10-19(17)20)29-14-21(25)24-13-15-5-7-16(8-6-15)23(27)28/h9-12,15-16H,2-8,13-14H2,1H3,(H,24,25)(H,27,28)/t15-,16-',
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'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 415.1994876479999,
'name': u'trans-4-[({[(4-Butyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(4-butyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl]amino]methyl]-, trans-',
'neutralized_2d_inchi': u'',
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'neutralized_inchi_key': u'',
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'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C23H29NO6',
'functional_sets': [],
'head_id': u'd7ede0a3a64b48c9a24831481d74efde',
'inchi': u'InChI=1S/C23H29NO6/c1-3-4-17-11-21(25)30-20-12-18(9-10-19(17)20)29-14(2)22(26)24-13-15-5-7-16(8-6-15)23(27)28/h9-12,14-16H,3-8,13H2,1-2H3,(H,24,26)(H,27,28)/t14?,15-,16-',
'inchi_key': u'CKVHTTDFJBGBCN-KURUOMIPSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 415.1994876479999,
'name': u'trans-4-[({2-[(2-Oxo-4-propyl-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[1-oxo-2-[(2-oxo-4-propyl-2H-1-benzopyran-7-yl)oxy]propyl]amino]methyl]-, trans-',
'neutralized_2d_inchi': u'',
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'neutralized_inchi_key': u'',
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'unique_id': u'd7ede0a3a64b48c9a24831481d74efde',
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'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C23H29NO6',
'functional_sets': [],
'head_id': u'3c4861483de94a3eb58008b5ff61746a',
'inchi': u'InChI=1S/C23H29NO6/c1-4-16-11-20(25)30-19-10-13(2)9-18(21(16)19)29-14(3)22(26)24-12-15-5-7-17(8-6-15)23(27)28/h9-11,14-15,17H,4-8,12H2,1-3H3,(H,24,26)(H,27,28)/t14?,15-,17-',
'inchi_key': u'HOGNSHPIFOIKIO-XFBNRCLWSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 415.1994876479999,
'name': u'trans-4-[({2-[(4-Ethyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(4-ethyl-7-methyl-2-oxo-2H-1-benzopyran-5-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
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'synonyms': u'',
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'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C23H29NO6',
'functional_sets': [],
'head_id': u'6bd37ba1a57d41059f0ffe0bc2f86239',
'inchi': u'InChI=1S/C23H29NO6/c1-4-16-11-20(25)30-21-13(2)19(10-9-18(16)21)29-14(3)22(26)24-12-15-5-7-17(8-6-15)23(27)28/h9-11,14-15,17H,4-8,12H2,1-3H3,(H,24,26)(H,27,28)/t14?,15-,17-',
'inchi_key': u'VRZNREAVGVERFB-XFBNRCLWSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 415.1994876479999,
'name': u'trans-4-[({2-[(4-Ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(4-ethyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
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'unique_id': u'6bd37ba1a57d41059f0ffe0bc2f86239',
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'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C24H22N2O3',
'functional_sets': [],
'head_id': u'0a70120c7eb94418b3030309ddd526e6',
'inchi': u'InChI=1S/C24H22N2O3/c1-2-3-22-23(16-4-10-19(27)11-5-16)25-26(18-8-14-21(29)15-9-18)24(22)17-6-12-20(28)13-7-17/h4-15,27-29H,2-3H2,1H3',
'inchi_key': u'IOTXSIGGFRQYKW-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 386.16304256399997,
'name': u"4,4',4''-(4-Propyl-1H-pyrazole-1,3,5-triyl)triphenol\nPhenol, 4,4',4''-(4-propyl-1H-pyrazole-1,3,5-triyl)tris-",
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
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'synonyms': u'',
'unique_id': u'0a70120c7eb94418b3030309ddd526e6',
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'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C24H23N3O2',
'functional_sets': [],
'head_id': u'2ada877ccc934013b67c4c57d2843793',
'inchi': u'InChI=1S/C24H23N3O2/c1-15-7-2-3-9-17(15)22-23-19(18-10-4-5-11-20(18)26-23)13-21(27-22)24(28)25-14-16-8-6-12-29-16/h2-5,7,9-11,13,16,27H,6,8,12,14H2,1H3,(H,25,28)',
'inchi_key': u'WEXUTYRSGLZPOA-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 385.17902697600005,
'name': u'1-(2-Methylphenyl)-N-(tetrahydro-2-furanylmethyl)-2H-beta-carboline-3-carboxamide\n2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(2-methylphenyl)-N-[(tetrahydro-2-furanyl)methyl]-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
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'synonyms': u'',
'unique_id': u'2ada877ccc934013b67c4c57d2843793',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C24H23N3O2',
'functional_sets': [],
'head_id': u'22673e71d2a4427f92e226361a28e0ef',
'inchi': u'InChI=1S/C24H23N3O2/c1-15-8-10-16(11-9-15)22-23-19(18-6-2-3-7-20(18)26-23)13-21(27-22)24(28)25-14-17-5-4-12-29-17/h2-3,6-11,13,17,27H,4-5,12,14H2,1H3,(H,25,28)',
'inchi_key': u'NBONCKXCKGSEAW-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 385.17902697600005,
'name': u'1-(4-Methylphenyl)-N-(tetrahydro-2-furanylmethyl)-2H-beta-carboline-3-carboxamide\n2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(4-methylphenyl)-N-[(tetrahydro-2-furanyl)methyl]-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
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'synonyms': u'',
'unique_id': u'22673e71d2a4427f92e226361a28e0ef',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C24H23N3O3',
'functional_sets': [],
'head_id': u'b70b493fe3524cc0976e1cccc2b5a274',
'inchi': u'InChI=1S/C24H23N3O3/c1-29-16-10-8-15(9-11-16)22-23-19(18-6-2-3-7-20(18)26-23)13-21(27-22)24(28)25-14-17-5-4-12-30-17/h2-3,6-11,13,17,27H,4-5,12,14H2,1H3,(H,25,28)',
'inchi_key': u'CLWNGCIQDFFMPZ-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 401.173941596,
'name': u'2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(4-methoxyphenyl)-N-[(tetrahydro-2-furanyl)methyl]-\n1-(4-Methoxyphenyl)-N-(tetrahydro-2-furanylmethyl)-2H-beta-carboline-3-carboxamide',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
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'neutralized_inchi_key': u'',
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'synonyms': u'',
'unique_id': u'b70b493fe3524cc0976e1cccc2b5a274',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C24H23N3O3',
'functional_sets': [],
'head_id': u'7baba24b3f7a4b2196fb157298b430df',
'inchi': u'InChI=1S/C24H23N3O3/c1-29-16-7-4-6-15(12-16)22-23-19(18-9-2-3-10-20(18)26-23)13-21(27-22)24(28)25-14-17-8-5-11-30-17/h2-4,6-7,9-10,12-13,17,27H,5,8,11,14H2,1H3,(H,25,28)',
'inchi_key': u'KMAREPQCUSHBQE-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 401.173941596,
'name': u'2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(3-methoxyphenyl)-N-[(tetrahydro-2-furanyl)methyl]-\n1-(3-Methoxyphenyl)-N-(tetrahydro-2-furanylmethyl)-2H-beta-carboline-3-carboxamide',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
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'synonyms': u'',
'unique_id': u'7baba24b3f7a4b2196fb157298b430df',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C24H23N3O3',
'functional_sets': [],
'head_id': u'2916bffbf1244ee082e3ec9f022eb794',
'inchi': u'InChI=1S/C24H23N3O3/c1-29-21-11-5-3-9-17(21)22-23-18(16-8-2-4-10-19(16)26-23)13-20(27-22)24(28)25-14-15-7-6-12-30-15/h2-5,8-11,13,15,27H,6-7,12,14H2,1H3,(H,25,28)',
'inchi_key': u'SNXUWOKRCVICFV-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 401.173941596,
'name': u'2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(2-methoxyphenyl)-N-[(tetrahydro-2-furanyl)methyl]-\n1-(2-Methoxyphenyl)-N-(tetrahydro-2-furanylmethyl)-2H-beta-carboline-3-carboxamide',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
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'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'2916bffbf1244ee082e3ec9f022eb794',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C24H25NO6',
'functional_sets': [],
'head_id': u'1f8843629afb48ffab03b5caa62cd067',
'inchi': u'InChI=1S/C24H25NO6/c1-14(22(26)25-13-15-6-8-16(9-7-15)23(27)28)30-17-10-11-19-18-4-2-3-5-20(18)24(29)31-21(19)12-17/h2-5,10-12,14-16H,6-9,13H2,1H3,(H,25,26)(H,27,28)/t14?,15-,16-',
'inchi_key': u'DBFROQUVDRUPBV-KURUOMIPSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 423.1681875199999,
'name': u'trans-4-[({2-[(6-Oxo-6H-benzo[c]chromen-3-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[1-oxo-2-[(6-oxo-6H-dibenzo[b,d]pyran-3-yl)oxy]propyl]amino]methyl]-, trans-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
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'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'1f8843629afb48ffab03b5caa62cd067',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C24H30ClNO6',
'functional_sets': [],
'head_id': u'ee5dbe8df08c48a6a9dd1c307d12df01',
'inchi': u'InChI=1S/C24H30ClNO6/c1-3-4-5-17-10-22(27)32-20-12-21(19(25)11-18(17)20)31-14(2)23(28)26-13-15-6-8-16(9-7-15)24(29)30/h10-12,14-16H,3-9,13H2,1-2H3,(H,26,28)(H,29,30)/t14?,15-,16-',
'inchi_key': u'RERZBPOOKQSLED-KURUOMIPSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 463.17616535999986,
'name': u'trans-4-[({2-[(4-Butyl-6-chloro-2-oxo-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-',
'neutralized_2d_inchi': u'',
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'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
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'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'ee5dbe8df08c48a6a9dd1c307d12df01',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C24H31NO6',
'functional_sets': [],
'head_id': u'7cd5bcd9d7144e6982cd1099d60a42f4',
'inchi': u'InChI=1S/C24H31NO6/c1-3-4-5-18-12-22(26)31-21-13-19(10-11-20(18)21)30-15(2)23(27)25-14-16-6-8-17(9-7-16)24(28)29/h10-13,15-17H,3-9,14H2,1-2H3,(H,25,27)(H,28,29)/t15?,16-,17-',
'inchi_key': u'YXDXKAPCDRCRNK-ATBAIXNZSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 429.2151377119999,
'name': u'trans-4-[({2-[(4-Butyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(4-butyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-',
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'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C24H31NO6',
'functional_sets': [],
'head_id': u'475532e19342466b9a43302a6e910500',
'inchi': u'InChI=1S/C24H31NO6/c1-3-4-5-18-12-22(27)31-20-11-15(2)10-19(23(18)20)30-14-21(26)25-13-16-6-8-17(9-7-16)24(28)29/h10-12,16-17H,3-9,13-14H2,1-2H3,(H,25,26)(H,28,29)/t16-,17-',
'inchi_key': u'RCJINVKJESWGOW-QAQDUYKDSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 429.2151377119999,
'name': u'trans-4-[({[(4-Butyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(4-butyl-7-methyl-2-oxo-2H-1-benzopyran-5-yl)oxy]acetyl]amino]methyl]-, trans-',
'neutralized_2d_inchi': u'',
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'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C24H31NO6',
'functional_sets': [],
'head_id': u'd41ca3f4bf5945ffb9eab235234a2f68',
'inchi': u'InChI=1S/C24H31NO6/c1-3-4-5-18-12-22(27)31-23-15(2)20(11-10-19(18)23)30-14-21(26)25-13-16-6-8-17(9-7-16)24(28)29/h10-12,16-17H,3-9,13-14H2,1-2H3,(H,25,26)(H,28,29)/t16-,17-',
'inchi_key': u'KQUTXXWSXHOINZ-QAQDUYKDSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 429.2151377119999,
'name': u'trans-4-[({[(4-Butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl]amino]methyl]-, trans-',
'neutralized_2d_inchi': u'',
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'neutralized_inchi_key': u'',
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'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C24H31NO6',
'functional_sets': [],
'head_id': u'95fa1040c613429787d1bc37f0fa7520',
'inchi': u'InChI=1S/C24H31NO6/c1-4-5-18-12-21(26)31-20-11-14(2)10-19(22(18)20)30-15(3)23(27)25-13-16-6-8-17(9-7-16)24(28)29/h10-12,15-17H,4-9,13H2,1-3H3,(H,25,27)(H,28,29)/t15?,16-,17-',
'inchi_key': u'AUOQTWUVJWASOW-ATBAIXNZSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 429.2151377119999,
'name': u'trans-4-[({2-[(7-Methyl-2-oxo-4-propyl-2H-chromen-5-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(7-methyl-2-oxo-4-propyl-2H-1-benzopyran-5-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
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'synonyms': u'',
'unique_id': u'95fa1040c613429787d1bc37f0fa7520',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C24H33N3O7',
'functional_sets': [],
'head_id': u'12592fc4f88b4e8fb41896f65061c8e5',
'inchi': u'InChI=1S/C24H33N3O7/c1-6-7-13-8-15-21(30)26-17-14(22(31)27(15)10-13)9-16(11(2)18(17)28)34-23-20(29)24(4,32)19(25-5)12(3)33-23/h6-7,9-10,12,15,19-21,23,25-26,28-30,32H,8H2,1-5H3',
'inchi_key': u'RAGFPHFDFVNLCG-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 475.2318503959999,
'name': u'5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one, 7-[[4,6-dideoxy-3-C-methyl-4-(methylamino)-alpha-L-mannopyranosyl]oxy]-1,10,11,11a-tetrahydro-9,11-dihydroxy-8-methyl-2-[(1E)-1-propen-1-yl]-, (11R,11aS)-\n(11R,11aS)-9,11-Dihydroxy-8-methyl-5-oxo-2-[(1E)-1-propen-1-yl]-5,10,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl 4,6-dideoxy-3-C-methyl-4-(methylamino)-alpha-L-mannopyranoside',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
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'synonyms': u'',
'unique_id': u'12592fc4f88b4e8fb41896f65061c8e5',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C24H34N4O5S',
'functional_sets': [],
'head_id': u'565e8a9ce4ed4127b3ddf7b6513aefca',
'inchi': u'InChI=1S/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-14-13-18-7-11-20(12-8-18)34(32,33)27-23(30)26-19-9-5-16(2)6-10-19/h7-8,11-12,16,19H,4-6,9-10,13-15H2,1-3H3,(H,25,31)(H2,26,27,30)/t16-,19-',
'inchi_key': u'WIGIZIANZCJQQY-RUCARUNLSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 490.22499118799993,
'name': u'1H-Pyrrole-1-carboxamide, 3-ethyl-2,5-dihydro-4-methyl-N-[2-[4-[[[[(trans-4-methylcyclohexyl)amino]carbonyl]amino]sulfonyl]phenyl]ethyl]-2-oxo-\n3-Ethyl-4-methyl-N-[2-(4-{[(trans-4-methylcyclohexyl)carbamoyl]sulfamoyl}phenyl)ethyl]-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide\n1H-Pyrrole-1-carboximidic acid, 3-ethyl-2,5-dihydro-N-[2-[4-[[[(E)-hydroxy[(trans-4-methylcyclohexyl)imino]methyl]amino]sulfonyl]phenyl]ethyl]-4-methyl-2-oxo-\n3-Ethyl-N-{2-[4-({(E)-hydroxy[(trans-4-methylcyclohexyl)imino]methyl}sulfamoyl)phenyl]ethyl}-4-methyl-2-oxo-2,5-dihydro-1H-pyrrole-1-carboximidic acid',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'565e8a9ce4ed4127b3ddf7b6513aefca',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C24H38N2O7S',
'functional_sets': [],
'head_id': u'8f4a1c4b320743a6ae7bfbf96b5285af',
'inchi': u'InChI=1S/C24H38N2O7S/c1-4-5-6-10-13-17-20(29)26-24(23(17,3)33,19(28)16-11-8-7-9-12-16)22(32)34-14-18(21(30)31)25-15(2)27/h8,11,16-19,28,33H,4-7,9-10,12-14H2,1-3H3,(H,25,27)(H,26,29)(H,30,31)',
'inchi_key': u'LNANRAACAKDGBI-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 498.2399725559998,
'name': u'N-Acetyl-S-({(2R,3S,4R)-2-[(S)-(1S)-2-cyclohexen-1-yl(hydroxy)methyl]-4-hexyl-3-hydroxy-3-methyl-5-oxo-2-pyrrolidinyl}carbonyl)-L-cysteine\nL-Cysteine, N-acetyl-S-[[(2R,3S,4R)-2-[(S)-(1S)-2-cyclohexen-1-ylhydroxymethyl]-4-hexyl-3-hydroxy-3-methyl-5-oxo-2-pyrrolidinyl]carbonyl]-',
'neutralized_2d_inchi': u'',
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'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
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'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'8f4a1c4b320743a6ae7bfbf96b5285af',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C25H22N4O4',
'functional_sets': [],
'head_id': u'1373fc809435452da6dd2d606589c5f7',
'inchi': u'InChI=1S/C25H22N4O4/c1-14-10-11-19(12-15(14)2)29-24(31)22(16(3)28-29)27-26-21-9-5-8-20(23(21)30)17-6-4-7-18(13-17)25(32)33/h4-13,26,30H,1-3H3,(H,32,33)/b27-22+',
'inchi_key': u'XDXWLKQMMKQXPV-HPNDGRJYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 442.164105184,
'name': u"3'-{(2E)-2-[1-(3,4-Dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazino}-2'-hydroxy-3-biphenylcarboxylic acid\n[1,1'-Biphenyl]-3-carboxylic acid, 3'-[(2E)-2-[1-(3,4-dimethylphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]hydrazinyl]-2'-hydroxy-",
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
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'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'1373fc809435452da6dd2d606589c5f7',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C25H22N4O8',
'functional_sets': [],
'head_id': u'4fa756cf339b47509b898b0330beae51',
'inchi': u'InChI=1S/C25H22N4O8/c1-9-14(10-6-8-13(35-2)23(36-3)20(10)30)15(26)19(29-17(9)25(33)34)12-7-5-11-18(28-12)22(32)16(27)24(37-4)21(11)31/h5-8,30H,26-27H2,1-4H3,(H,33,34)',
'inchi_key': u'PVYJZLYGTZKPJE-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 506.1437636639999,
'name': u'2-Pyridinecarboxylic acid, 5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolinyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-\n5-Amino-6-(7-amino-6-methoxy-5,8-dioxo-5,8-dihydro-2-quinolinyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-2-pyridinecarboxylic acid',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
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'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'4fa756cf339b47509b898b0330beae51',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C25H24ClNO6',
'functional_sets': [],
'head_id': u'e67873278bf54dcca20da0acc102a68f',
'inchi': u'InChI=1S/C25H24ClNO6/c26-20-10-19-18(16-4-2-1-3-5-16)11-24(29)33-21(19)12-22(20)32-14-23(28)27-13-15-6-8-17(9-7-15)25(30)31/h1-5,10-12,15,17H,6-9,13-14H2,(H,27,28)(H,30,31)/t15-,17-',
'inchi_key': u'HAVINGMAQNEKHR-JCNLHEQBSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 469.12921516799986,
'name': u'Cyclohexanecarboxylic acid, 4-[[[2-[(6-chloro-2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]acetyl]amino]methyl]-, trans-\ntrans-4-[({[(6-Chloro-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
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'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'e67873278bf54dcca20da0acc102a68f',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C25H25BrN4O2',
'functional_sets': [],
'head_id': u'ab492b1c756149b69525d0f32fd29b68',
'inchi': u'InChI=1S/C25H25BrN4O2/c26-18-6-3-5-17(15-18)23-24-20(19-7-1-2-8-21(19)28-24)16-22(29-23)25(31)27-9-4-10-30-11-13-32-14-12-30/h1-3,5-8,15-16,29H,4,9-14H2,(H,27,31)',
'inchi_key': u'XSMQKIDAEVUBHU-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 492.1160881400001,
'name': u'2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(3-bromophenyl)-N-[3-(4-morpholinyl)propyl]-\n1-(3-Bromophenyl)-N-[3-(4-morpholinyl)propyl]-2H-beta-carboline-3-carboxamide',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
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'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'ab492b1c756149b69525d0f32fd29b68',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C25H25N3O4',
'functional_sets': [],
'head_id': u'868d7814514840bf97aaf6099372e77f',
'inchi': u'InChI=1S/C25H25N3O4/c1-30-15-9-10-22(31-2)19(12-15)24-23-18(17-7-3-4-8-20(17)27-23)13-21(28-24)25(29)26-14-16-6-5-11-32-16/h3-4,7-10,12-13,16,28H,5-6,11,14H2,1-2H3,(H,26,29)',
'inchi_key': u'CXAAMKKGUZWBKP-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 431.18450628,
'name': u'2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(2,5-dimethoxyphenyl)-N-[(tetrahydro-2-furanyl)methyl]-\n1-(2,5-Dimethoxyphenyl)-N-(tetrahydro-2-furanylmethyl)-2H-beta-carboline-3-carboxamide',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'868d7814514840bf97aaf6099372e77f',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C25H25NO6',
'functional_sets': [],
'head_id': u'1b7b2aa5aabf46cca793ce3c8b4fca7e',
'inchi': u'InChI=1S/C25H25NO6/c27-23(26-14-16-6-8-18(9-7-16)25(29)30)15-31-19-10-11-20-21(17-4-2-1-3-5-17)13-24(28)32-22(20)12-19/h1-5,10-13,16,18H,6-9,14-15H2,(H,26,27)(H,29,30)/t16-,18-',
'inchi_key': u'CSVNPYRZUMFKON-SAABIXHNSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 435.1681875199999,
'name': u'trans-4-[({[(2-Oxo-4-phenyl-2H-chromen-7-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]acetyl]amino]methyl]-, trans-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'1b7b2aa5aabf46cca793ce3c8b4fca7e',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C25H27NO6',
'functional_sets': [],
'head_id': u'd76a762d41024b89b3049e645a13abd4',
'inchi': u'InChI=1S/C25H27NO6/c1-14-21(12-11-19-18-5-3-4-6-20(18)25(30)32-22(14)19)31-15(2)23(27)26-13-16-7-9-17(10-8-16)24(28)29/h3-6,11-12,15-17H,7-10,13H2,1-2H3,(H,26,27)(H,28,29)/t15?,16-,17-',
'inchi_key': u'AWLOHOKCXNGHMM-ATBAIXNZSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 437.1838375839999,
'name': u'trans-4-[({2-[(4-Methyl-6-oxo-6H-benzo[c]chromen-3-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(4-methyl-6-oxo-6H-dibenzo[b,d]pyran-3-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'd76a762d41024b89b3049e645a13abd4',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C25H31NO7',
'functional_sets': [],
'head_id': u'67e93a05c7434b559eef431e22e1d936',
'inchi': u'InChI=1S/C25H31NO7/c1-14-10-21(28)32-23-17-8-9-25(2,3)33-18(17)11-19(22(14)23)31-13-20(27)26-12-15-4-6-16(7-5-15)24(29)30/h10-11,15-16H,4-9,12-13H2,1-3H3,(H,26,27)(H,29,30)/t15-,16-',
'inchi_key': u'MYFWYMUMGWMICB-WKILWMFISA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 457.21005233199986,
'name': u"trans-4-[({[(4,8,8-Trimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-5-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(9,10-dihydro-4,8,8-trimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetyl]amino]methyl]-, trans-",
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
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'synonyms': u'',
'unique_id': u'67e93a05c7434b559eef431e22e1d936',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C25H33NO6',
'functional_sets': [],
'head_id': u'c34568a82fde4b9386ef36abc4435ec7',
'inchi': u'InChI=1S/C25H33NO6/c1-4-5-6-19-13-22(27)32-21-12-15(2)11-20(23(19)21)31-16(3)24(28)26-14-17-7-9-18(10-8-17)25(29)30/h11-13,16-18H,4-10,14H2,1-3H3,(H,26,28)(H,29,30)/t16?,17-,18-',
'inchi_key': u'GTDLOAQTYBOVIN-ZNUUHSPMSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 443.2307877759999,
'name': u'trans-4-[({2-[(4-Butyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(4-butyl-7-methyl-2-oxo-2H-1-benzopyran-5-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
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'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'c34568a82fde4b9386ef36abc4435ec7',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C25H40N2O7S',
'functional_sets': [],
'head_id': u'57b07b5360fa48f79da43a4d01b2ccfb',
'inchi': u'InChI=1S/C25H40N2O7S/c1-5-6-7-11-14-18-21(30)27-25(24(18,3)33,20(29)17-12-9-8-10-13-17)23(32)35-15-19(22(31)34-4)26-16(2)28/h9,12,17-20,29,33H,5-8,10-11,13-15H2,1-4H3,(H,26,28)(H,27,30)',
'inchi_key': u'GMTRMEITDRYTSO-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 512.2556226199998,
'name': u'L-Cysteine, N-acetyl-S-[[(2R,3S,4R)-2-[(S)-(1S)-2-cyclohexen-1-ylhydroxymethyl]-4-hexyl-3-hydroxy-3-methyl-5-oxo-2-pyrrolidinyl]carbonyl]-, methyl ester\nMethyl N-acetyl-S-({(2R,3S,4R)-2-[(S)-(1S)-2-cyclohexen-1-yl(hydroxy)methyl]-4-hexyl-3-hydroxy-3-methyl-5-oxo-2-pyrrolidinyl}carbonyl)-L-cysteinate',
'neutralized_2d_inchi': u'',
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'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
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'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'57b07b5360fa48f79da43a4d01b2ccfb',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C25H41NO4',
'functional_sets': [],
'head_id': u'ae564d32f969479981929fb17d723b94',
'inchi': u'InChI=1S/C25H41NO4/c1-17(2)14-20(5)24(29)21(6)15-18(3)12-13-23(28)11-9-8-10-19(4)25(30)26-22(7)16-27/h8-10,12-15,17,21-24,27-29H,11,16H2,1-7H3,(H,26,30)',
'inchi_key': u'GADFOYPOADGIMS-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 419.30355879199993,
'name': u'2,4,8,10,14-Heptadecapentaenamide, 7,13-dihydroxy-N-[(1S)-2-hydroxy-1-methylethyl]-2,10,12,14,16-pentamethyl-, (2E,4E,8E,10E,12R,13R,14E)-\n(2E,4E,8E,10E,12R,13R,14E)-7,13-Dihydroxy-N-[(2S)-1-hydroxy-2-propanyl]-2,10,12,14,16-pentamethyl-2,4,8,10,14-heptadecapentaenamide',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
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'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'ae564d32f969479981929fb17d723b94',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C25H42O6',
'functional_sets': [],
'head_id': u'16cc160f1d4b4d8cb53e3918dc8d9f87',
'inchi': u'InChI=1S/C25H42O6/c1-15(14-25(6)24(31-25)18(4)23(29-7)19(5)26)9-8-10-16(2)22-17(3)11-12-20(30-22)13-21(27)28/h8-10,15,17-20,22-24,26H,11-14H2,1-7H3,(H,27,28)',
'inchi_key': u'ISZXEMUWHQLLTC-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 438.2981390639998,
'name': u'(6R)-5,6-Anhydro-6-{(2S,3E,5E)-6-[(2S,3S,6R)-6-(carboxymethyl)-3-methyltetrahydro-2H-pyran-2-yl]-2-methyl-3,5-heptadien-1-yl}-1,4-dideoxy-4,6-dimethyl-3-O-methyl-L-glucitol\nD-glycero-L-talo-Heptitol, 2,3-anhydro-2-C-[(2S,3E,5E)-6-[(2S,3S,6R)-6-(carboxymethyl)tetrahydro-3-methyl-2H-pyran-2-yl]-2-methyl-3,5-heptadien-1-yl]-1,4,7-trideoxy-4-methyl-5-O-methyl-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'16cc160f1d4b4d8cb53e3918dc8d9f87',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C26H21N3O9',
'functional_sets': [],
'head_id': u'5c7ba59f0cd94c46a6856061e8cea6dd',
'inchi': u'InChI=1S/C26H21N3O9/c30-6-15-22(34)23(35)24(36)25(38-15)9-3-8-12(4-13(9)32)28-21-17(8)18-11(5-27-26(18)37)16-10-1-7(31)2-14(33)19(10)29-20(16)21/h1,4-5,9,15,22-25,28,30,34-37H,2-3,6H2/t9?,15-,22-,23+,24-,25+/m1/s1',
'inchi_key': u'BRFHINXURGEQKJ-FKKAOLSPSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 519.1277792519999,
'name': u'(1S)-1,5-Anhydro-1-[(9S)-7-hydroxy-1,3,10-trioxo-2,3,8,9,10,12-hexahydro-1H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-9-yl]-D-glucitol\nD-Glucitol, 1,5-anhydro-1-C-[(9S)-2,3,8,9,10,12-hexahydro-7-hydroxy-1,3,10-trioxo-1H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-9-yl]-, (1S)-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'5c7ba59f0cd94c46a6856061e8cea6dd',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C26H26ClNO6',
'functional_sets': [],
'head_id': u'546f84143a014ed085ff3e4aa126da02',
'inchi': u'InChI=1S/C26H26ClNO6/c1-15(25(30)28-14-16-7-9-18(10-8-16)26(31)32)33-23-13-22-20(11-21(23)27)19(12-24(29)34-22)17-5-3-2-4-6-17/h2-6,11-13,15-16,18H,7-10,14H2,1H3,(H,28,30)(H,31,32)/t15?,16-,18-',
'inchi_key': u'JVVQEBDBIRUGIE-CPONINCNSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 483.14486523199986,
'name': u'trans-4-[({2-[(6-Chloro-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(6-chloro-2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'546f84143a014ed085ff3e4aa126da02',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C26H27N3O5',
'functional_sets': [],
'head_id': u'577752ba93c546e6a5f609479b912d3a',
'inchi': u'InChI=1S/C26H27N3O5/c1-31-21-11-15(12-22(32-2)25(21)33-3)23-24-18(17-8-4-5-9-19(17)28-24)13-20(29-23)26(30)27-14-16-7-6-10-34-16/h4-5,8-9,11-13,16,29H,6-7,10,14H2,1-3H3,(H,27,30)',
'inchi_key': u'UJTKFAJRHSQRMS-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 461.19507096399997,
'name': u'N-(Tetrahydro-2-furanylmethyl)-1-(3,4,5-trimethoxyphenyl)-2H-beta-carboline-3-carboxamide\n2H-Pyrido[3,4-b]indole-3-carboxamide, N-[(tetrahydro-2-furanyl)methyl]-1-(3,4,5-trimethoxyphenyl)-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'577752ba93c546e6a5f609479b912d3a',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C26H27NO6',
'functional_sets': [],
'head_id': u'61d5164bae1e4046801dd69a5d862a5a',
'inchi': u'InChI=1S/C26H27NO6/c1-16-22(32-15-23(28)27-14-17-7-9-19(10-8-17)26(30)31)12-11-20-21(13-24(29)33-25(16)20)18-5-3-2-4-6-18/h2-6,11-13,17,19H,7-10,14-15H2,1H3,(H,27,28)(H,30,31)/t17-,19-',
'inchi_key': u'GSYNRNQTBJWZIV-UAPYVXQJSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 449.1838375839999,
'name': u'trans-4-[({[(8-Methyl-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(8-methyl-2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]acetyl]amino]methyl]-, trans-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
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'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'61d5164bae1e4046801dd69a5d862a5a',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C26H27NO6',
'functional_sets': [],
'head_id': u'a302cc60547847e2b26638a2fbd475ea',
'inchi': u'InChI=1S/C26H27NO6/c1-16(25(29)27-15-17-7-9-19(10-8-17)26(30)31)32-20-11-12-21-22(18-5-3-2-4-6-18)14-24(28)33-23(21)13-20/h2-6,11-14,16-17,19H,7-10,15H2,1H3,(H,27,29)(H,30,31)/t16?,17-,19-',
'inchi_key': u'BRIRKFJSVSFJIQ-UTPHLMKXSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 449.1838375839999,
'name': u'trans-4-[({2-[(2-Oxo-4-phenyl-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[1-oxo-2-[(2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]propyl]amino]methyl]-, trans-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'a302cc60547847e2b26638a2fbd475ea',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C26H27NO7',
'functional_sets': [],
'head_id': u'7b75fd1d00c44683ba7e1b5622dc1896',
'inchi': u'InChI=1S/C26H27NO7/c1-32-19-8-6-17(7-9-19)22-13-25(29)34-23-12-20(10-11-21(22)23)33-15-24(28)27-14-16-2-4-18(5-3-16)26(30)31/h6-13,16,18H,2-5,14-15H2,1H3,(H,27,28)(H,30,31)/t16-,18-',
'inchi_key': u'ZMGPMCNHOUGQGK-SAABIXHNSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 465.17875220399986,
'name': u'trans-4-{[({[4-(4-Methoxyphenyl)-2-oxo-2H-chromen-7-yl]oxy}acetyl)amino]methyl}cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[[4-(4-methoxyphenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy]acetyl]amino]methyl]-, trans-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'7b75fd1d00c44683ba7e1b5622dc1896',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C26H28N4O2',
'functional_sets': [],
'head_id': u'de38979d4d874fa59b405f533f95d876',
'inchi': u'InChI=1S/C26H28N4O2/c1-18-7-9-19(10-8-18)24-25-21(20-5-2-3-6-22(20)28-25)17-23(29-24)26(31)27-11-4-12-30-13-15-32-16-14-30/h2-3,5-10,17,29H,4,11-16H2,1H3,(H,27,31)',
'inchi_key': u'QVKXLPAYTRZQOR-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 428.22122613600004,
'name': u'2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(4-methylphenyl)-N-[3-(4-morpholinyl)propyl]-\n1-(4-Methylphenyl)-N-[3-(4-morpholinyl)propyl]-2H-beta-carboline-3-carboxamide',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'de38979d4d874fa59b405f533f95d876',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C26H28N4O3',
'functional_sets': [],
'head_id': u'716d45941db741939c2aedaf48f178a7',
'inchi': u'InChI=1S/C26H28N4O3/c1-32-19-7-4-6-18(16-19)24-25-21(20-8-2-3-9-22(20)28-25)17-23(29-24)26(31)27-10-5-11-30-12-14-33-15-13-30/h2-4,6-9,16-17,29H,5,10-15H2,1H3,(H,27,31)',
'inchi_key': u'KSIIEFJRZNSMGQ-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 444.216140756,
'name': u'2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(3-methoxyphenyl)-N-[3-(4-morpholinyl)propyl]-\n1-(3-Methoxyphenyl)-N-[3-(4-morpholinyl)propyl]-2H-beta-carboline-3-carboxamide',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'716d45941db741939c2aedaf48f178a7',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C26H28O15',
'functional_sets': [],
'head_id': u'21e9f5c3bccb49a18b08ef0da3eaa1fd',
'inchi': u'InChI=1S/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31)/t15-,18-,19+,20+,21+,22-,24-,25+,26-/m1/s1',
'inchi_key': u'ZPPQIOUITZSYAO-MNOAYJSQSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 580.1428201959998,
'name': u'2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl 2-O-beta-D-xylopyranosyl-beta-D-glucopyranoside\nbeta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl 2-O-beta-D-xylopyranosyl-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'21e9f5c3bccb49a18b08ef0da3eaa1fd',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C26H33NO6',
'functional_sets': [],
'head_id': u'63dea4f6008f4ee5ac13e969557d0e52',
'inchi': u'InChI=1S/C26H33NO6/c1-8-31-24(29)21-16(3)27-17(4)22(25(30)32-9-2)23(21)19-13-11-10-12-18(19)14-15-20(28)33-26(5,6)7/h10-15,23,29H,8-9H2,1-7H3/b15-14+,24-21+',
'inchi_key': u'HRWNZPORSDJVBT-ANJOCGSNSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 455.2307877759999,
'name': u'Ethyl (5Z)-5-[ethoxy(hydroxy)methylene]-2,6-dimethyl-4-(2-{(1E)-3-[(2-methyl-2-propanyl)oxy]-3-oxo-1-propen-1-yl}phenyl)-4,5-dihydro-3-pyridinecarboxylate\n3-Pyridinecarboxylic acid, 4-[2-[(1E)-3-(1,1-dimethylethoxy)-3-oxo-1-propen-1-yl]phenyl]-5-(ethoxyhydroxymethylene)-4,5-dihydro-2,6-dimethyl-, ethyl ester, (5Z)-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'63dea4f6008f4ee5ac13e969557d0e52',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C26H39NO3',
'functional_sets': [],
'head_id': u'ce491fc28dba4f018510f5cdbc5cb90a',
'inchi': u'InChI=1S/C26H39NO3/c1-16(2)11-13-27-20-14-21(28)24(30)19(23(20)29)15-26(6)18(4)10-12-25(5)17(3)8-7-9-22(25)26/h14,16,18,22,27,30H,3,7-13,15H2,1-2,4-6H3/t18-,22+,25+,26+/m0/s1',
'inchi_key': u'VNDCVHMWISOLKI-DVBYZVISSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 413.29299410799996,
'name': u'2-Hydroxy-5-[(3-methylbutyl)amino]-3-{[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylenedecahydro-1-naphthalenyl]methyl}-1,4-benzoquinone\n2,5-Cyclohexadiene-1,4-dione, 3-[[(1R,2S,4aS,8aS)-decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl]methyl]-2-hydroxy-5-[(3-methylbutyl)amino]-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'ce491fc28dba4f018510f5cdbc5cb90a',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C27H29N3O4',
'functional_sets': [],
'head_id': u'd9ae265d6e7e41b6a23612e6d11da40d',
'inchi': u'InChI=1S/C27H29N3O4/c1-32-22-13-16(14-23(33-2)26(22)34-3)24-25-19(18-11-7-8-12-20(18)29-25)15-21(30-24)27(31)28-17-9-5-4-6-10-17/h7-8,11-15,17,30H,4-6,9-10H2,1-3H3,(H,28,31)',
'inchi_key': u'FXHLHJGGCCHNCE-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 459.215806408,
'name': u'N-Cyclohexyl-1-(3,4,5-trimethoxyphenyl)-2H-beta-carboline-3-carboxamide\n2H-Pyrido[3,4-b]indole-3-carboxamide, N-cyclohexyl-1-(3,4,5-trimethoxyphenyl)-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
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'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'd9ae265d6e7e41b6a23612e6d11da40d',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C27H29NO6',
'functional_sets': [],
'head_id': u'32ea7b352318470489559cd77a98cc58',
'inchi': u'InChI=1S/C27H29NO6/c1-16-23(33-17(2)26(30)28-15-18-8-10-20(11-9-18)27(31)32)13-12-21-22(14-24(29)34-25(16)21)19-6-4-3-5-7-19/h3-7,12-14,17-18,20H,8-11,15H2,1-2H3,(H,28,30)(H,31,32)/t17?,18-,20-',
'inchi_key': u'HVDQBOGXNAWROE-FNNPTEEZSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 463.1994876479999,
'name': u'trans-4-[({2-[(8-Methyl-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(8-methyl-2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]methyl]-, trans-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'32ea7b352318470489559cd77a98cc58',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C27H29NO6',
'functional_sets': [],
'head_id': u'2002ca0daeed49c59e769e413212309b',
'inchi': u'InChI=1S/C27H29NO6/c1-17-22-12-11-21(14-24(22)34-27(32)23(17)13-18-5-3-2-4-6-18)33-16-25(29)28-15-19-7-9-20(10-8-19)26(30)31/h2-6,11-12,14,19-20H,7-10,13,15-16H2,1H3,(H,28,29)(H,30,31)/t19-,20-',
'inchi_key': u'SKUGZRGAYUSNFO-MXVIHJGJSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 463.1994876479999,
'name': u'trans-4-[({[(3-Benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[[4-methyl-2-oxo-3-(phenylmethyl)-2H-1-benzopyran-7-yl]oxy]acetyl]amino]methyl]-, trans-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'2002ca0daeed49c59e769e413212309b',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C27H29NO7',
'functional_sets': [],
'head_id': u'ed1b0b2f03ca4db986ebe580cb288e74',
'inchi': u'InChI=1S/C27H29NO7/c1-16-23(34-15-24(29)28-14-17-3-5-19(6-4-17)27(31)32)12-11-21-22(13-25(30)35-26(16)21)18-7-9-20(33-2)10-8-18/h7-13,17,19H,3-6,14-15H2,1-2H3,(H,28,29)(H,31,32)/t17-,19-',
'inchi_key': u'SYEOCUOTXUJMEV-UAPYVXQJSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 479.19440226799986,
'name': u'trans-4-{[({[4-(4-Methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl]oxy}acetyl)amino]methyl}cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[[4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-1-benzopyran-7-yl]oxy]acetyl]amino]methyl]-, trans-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
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'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'ed1b0b2f03ca4db986ebe580cb288e74',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C27H29NO7',
'functional_sets': [],
'head_id': u'5fb3654a807142e18572377e58fe9ab3',
'inchi': u'InChI=1S/C27H29NO7/c1-16(26(30)28-15-17-3-5-19(6-4-17)27(31)32)34-21-11-12-22-23(14-25(29)35-24(22)13-21)18-7-9-20(33-2)10-8-18/h7-14,16-17,19H,3-6,15H2,1-2H3,(H,28,30)(H,31,32)/t16?,17-,19-',
'inchi_key': u'UVOFNFYZAGDDSB-UTPHLMKXSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 479.19440226799986,
'name': u'trans-4-{[(2-{[4-(4-Methoxyphenyl)-2-oxo-2H-chromen-7-yl]oxy}propanoyl)amino]methyl}cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[[4-(4-methoxyphenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy]-1-oxopropyl]amino]methyl]-, trans-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'5fb3654a807142e18572377e58fe9ab3',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C27H30N4O4',
'functional_sets': [],
'head_id': u'92cf257686444e45939e6d5370e07534',
'inchi': u'InChI=1S/C27H30N4O4/c1-33-18-8-9-24(34-2)21(16-18)26-25-20(19-6-3-4-7-22(19)29-25)17-23(30-26)27(32)28-10-5-11-31-12-14-35-15-13-31/h3-4,6-9,16-17,30H,5,10-15H2,1-2H3,(H,28,32)',
'inchi_key': u'SXUGSBCTMDLZPH-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 474.22670544,
'name': u'1-(2,5-Dimethoxyphenyl)-N-[3-(4-morpholinyl)propyl]-2H-beta-carboline-3-carboxamide\n2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(2,5-dimethoxyphenyl)-N-[3-(4-morpholinyl)propyl]-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'92cf257686444e45939e6d5370e07534',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C27H30N4O4',
'functional_sets': [],
'head_id': u'cb44639548b944278cb667e874242c6f',
'inchi': u'InChI=1S/C27H30N4O4/c1-33-23-9-8-18(16-24(23)34-2)25-26-20(19-6-3-4-7-21(19)29-26)17-22(30-25)27(32)28-10-5-11-31-12-14-35-15-13-31/h3-4,6-9,16-17,30H,5,10-15H2,1-2H3,(H,28,32)',
'inchi_key': u'VLGYOPHQGQZESI-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 474.22670544,
'name': u'1-(3,4-Dimethoxyphenyl)-N-[3-(4-morpholinyl)propyl]-2H-beta-carboline-3-carboxamide\n2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(3,4-dimethoxyphenyl)-N-[3-(4-morpholinyl)propyl]-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
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'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'cb44639548b944278cb667e874242c6f',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C27H30O14',
'functional_sets': [],
'head_id': u'10634a67d9484b45bac7ccd4d2cf911f',
'inchi': u'InChI=1S/C27H30O14/c1-10-19(31)21(33)23(35)26(38-10)37-9-18-20(32)22(34)24(36)27(41-18)40-17-8-14-15(30)6-13(29)7-16(14)39-25(17)11-2-4-12(28)5-3-11/h2-8,10,18-24,26-27,31-36H,9H2,1H3,(H2-,28,29,30)/t10-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1',
'inchi_key': u'IFYOHQQBIKDHFT-ASZXTAQUSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 578.1635556399998,
'name': u'beta-D-Glucopyranoside, 5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-, inner salt\n3-{[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-7-hydroxy-2-(4-hydroxyphenyl)-5-chromeniumolate',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'10634a67d9484b45bac7ccd4d2cf911f',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C27H30O15',
'functional_sets': [],
'head_id': u'c6761bee8e154392ae119b5a69e502ba',
'inchi': u'InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/t9-,18+,19-,20+,21+,22-,23+,24+,26?,27?/m0/s1',
'inchi_key': u'USNPULRDBDVJAO-GNVFRXNTSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 594.1584702599998,
'name': u'2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside\nbeta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'c6761bee8e154392ae119b5a69e502ba',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C27H30O15',
'functional_sets': [],
'head_id': u'473496f919fb458c858ef9bec2b0156b',
'inchi': u'InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1',
'inchi_key': u'USNPULRDBDVJAO-FXCAAIILSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 594.1584702599998,
'name': u'beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-, inner salt\n3-{[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-chromeniumolate',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'473496f919fb458c858ef9bec2b0156b',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C27H30O15',
'functional_sets': [],
'head_id': u'e3c7480be15b4884a3ec4b9b6d8b0cdf',
'inchi': u'InChI=1S/C27H30O15/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31)/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1',
'inchi_key': u'SLCKJKWFULXZBD-ZOTFFYTFSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 594.1584702599998,
'name': u'3-(beta-D-Glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-5-chromeniumyl beta-D-glucopyranoside\nbeta-D-Glucopyranoside, 3-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium-5-yl',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'e3c7480be15b4884a3ec4b9b6d8b0cdf',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C27H30O16',
'functional_sets': [],
'head_id': u'6ae4d260b9a443d297582146f022351c',
'inchi': u'InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)39-10-4-13(31)11-6-16(41-27-24(38)22(36)20(34)18(8-29)43-27)25(40-15(11)5-10)9-1-2-12(30)14(32)3-9/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1',
'inchi_key': u'ULXBEUBSYSSVTP-ZOTFFYTFSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 610.1533848799999,
'name': u'2-(3,4-Dihydroxyphenyl)-3,7-bis(beta-D-glucopyranosyloxy)-5-chromeniumolate\nbeta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5-hydroxy-1-benzopyrylium-7-yl, inner salt',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
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'url': u'',
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'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C27H30O16',
'functional_sets': [],
'head_id': u'79f70290c14149b3a7fbc5f15cf249ab',
'inchi': u'InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-16(25(39-14)9-1-2-12(31)13(32)3-9)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1',
'inchi_key': u'RDFLLVCQYHQOBU-ZOTFFYTFSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 610.1533848799999,
'name': u'beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-7-hydroxy-1-benzopyrylium-5-yl, inner salt\n2-(3,4-Dihydroxyphenyl)-3,5-bis(beta-D-glucopyranosyloxy)-7-chromeniumolate',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
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'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C27H30O16',
'functional_sets': [],
'head_id': u'a09a9caa129f4a4694125538383965e9',
'inchi': u'InChI=1S/C27H30O16/c28-7-17-19(34)21(36)23(38)26(41-17)43-25-22(37)20(35)18(8-29)42-27(25)40-16-6-11-13(32)4-10(30)5-15(11)39-24(16)9-1-2-12(31)14(33)3-9/h1-6,17-23,25-29,34-38H,7-8H2,(H3-,30,31,32,33)/t17-,18-,19-,20-,21+,22+,23-,25-,26+,27?/m1/s1',
'inchi_key': u'SXYMMDGPXYVCER-HAHCJQHHSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 610.1533848799999,
'name': u'beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl 2-O-beta-D-glucopyranosyl-\n2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside',
'neutralized_2d_inchi': u'',
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'neutralized_inchi_key': u'',
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'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C27H30O17',
'functional_sets': [],
'head_id': u'77bd17eb43e94152b7813c295b30e858',
'inchi': u'InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1',
'inchi_key': u'XCTGXGVGJYACEI-LCENJUANSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 626.1482994999999,
'name': u'3,5-Bis(beta-D-glucopyranosyloxy)-2-(3,4,5-trihydroxyphenyl)-7-chromeniumolate\nbeta-D-Glucopyranoside, 3-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium-5-yl, inner salt',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
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'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'77bd17eb43e94152b7813c295b30e858',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C27H30O17',
'functional_sets': [],
'head_id': u'4e65df62bf454ff7b65e0d52712a58dd',
'inchi': u'InChI=1S/C27H30O17/c28-6-16-19(35)21(37)23(39)26(42-16)44-25-22(38)20(36)17(7-29)43-27(25)41-15-5-10-11(31)3-9(30)4-14(10)40-24(15)8-1-12(32)18(34)13(33)2-8/h1-5,16-17,19-23,25-29,35-39H,6-7H2,(H4-,30,31,32,33,34)/t16-,17-,19-,20-,21-,22-,23-,25-,26?,27?/m0/s1',
'inchi_key': u'UYLDMCQVSGIZMI-KNPUFEMDSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 626.1482994999999,
'name': u'5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-chromeniumyl 2-O-beta-D-erythro-hexopyranosyl-beta-D-glycero-hexopyranoside\nbeta-D-glycero-Hexopyranoside, 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium-3-yl 2-O-beta-D-erythro-hexopyranosyl-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
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'unique_id': u'4e65df62bf454ff7b65e0d52712a58dd',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C27H35NO7',
'functional_sets': [],
'head_id': u'f668062151fc4ec0b7a87b5a8b3f9060',
'inchi': u'InChI=1S/C27H35NO7/c1-4-5-18-12-23(30)34-25-19-10-11-27(2,3)35-20(19)13-21(24(18)25)33-15-22(29)28-14-16-6-8-17(9-7-16)26(31)32/h12-13,16-17H,4-11,14-15H2,1-3H3,(H,28,29)(H,31,32)/t16-,17-',
'inchi_key': u'UCGGBFYNJMDOGD-QAQDUYKDSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 485.24135245999986,
'name': u"trans-4-[({[(8,8-Dimethyl-2-oxo-4-propyl-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-5-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[(9,10-dihydro-8,8-dimethyl-2-oxo-4-propyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetyl]amino]methyl]-, trans-",
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
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'synonyms': u'',
'unique_id': u'f668062151fc4ec0b7a87b5a8b3f9060',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C27H41NO8',
'functional_sets': [],
'head_id': u'e13d670b9cea41909df53b8ce6c24594',
'inchi': u'InChI=1S/C27H41NO8/c1-16(8-11-23-25(31)27(15-33-27)14-26(6,32)36-23)7-10-22-17(2)13-21(19(4)35-22)28-24(30)12-9-18(3)34-20(5)29/h7-9,11-12,17-19,21-23,25,31-32H,10,13-15H2,1-6H3,(H,28,30)',
'inchi_key': u'PJKVJJDQXZARCA-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 507.28321727199983,
'name': u'(2S,3Z)-5-{[(2R,3R,5S,6S)-6-{(2E,4E)-5-[(3R,4R,5R,7S)-4,7-Dihydroxy-7-methyl-1,6-dioxaspiro[2.5]oct-5-yl]-3-methyl-2,4-pentadien-1-yl}-2,5-dimethyltetrahydro-2H-pyran-3-yl]amino}-5-oxo-3-penten-2-yl acetate\n2-Pentenamide, 4-(acetyloxy)-N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4,7-dihydroxy-7-methyl-1,6-dioxaspiro[2.5]oct-5-yl]-3-methyl-2,4-pentadien-1-yl]tetrahydro-2,5-dimethyl-2H-pyran-3-yl]-, (2Z,4S)-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
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'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'e13d670b9cea41909df53b8ce6c24594',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C28H30ClNO6',
'functional_sets': [],
'head_id': u'2479557cff24434e98791b6be8677ca0',
'inchi': u'InChI=1S/C28H30ClNO6/c1-16-21-13-23(29)25(14-24(21)36-28(34)22(16)12-18-6-4-3-5-7-18)35-17(2)26(31)30-15-19-8-10-20(11-9-19)27(32)33/h3-7,13-14,17,19-20H,8-12,15H2,1-2H3,(H,30,31)(H,32,33)/t17?,19-,20-',
'inchi_key': u'SAUWKXGLBXTEBC-DASMUKNDSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 511.17616535999986,
'name': u'trans-4-[({2-[(3-Benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[[6-chloro-4-methyl-2-oxo-3-(phenylmethyl)-2H-1-benzopyran-7-yl]oxy]-1-oxopropyl]amino]methyl]-, trans-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
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'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'2479557cff24434e98791b6be8677ca0',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C28H31NO6',
'functional_sets': [],
'head_id': u'682c52a05d184a45958f270e5e90f5ea',
'inchi': u'InChI=1S/C28H31NO6/c1-17-22-12-13-24(34-16-25(30)29-15-20-8-10-21(11-9-20)27(31)32)18(2)26(22)35-28(33)23(17)14-19-6-4-3-5-7-19/h3-7,12-13,20-21H,8-11,14-16H2,1-2H3,(H,29,30)(H,31,32)/t20-,21-',
'inchi_key': u'MYGUIHMKFFPJNA-MEMLXQNLSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 477.2151377119999,
'name': u'trans-4-[({[(3-Benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[[4,8-dimethyl-2-oxo-3-(phenylmethyl)-2H-1-benzopyran-7-yl]oxy]acetyl]amino]methyl]-, trans-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
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'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'682c52a05d184a45958f270e5e90f5ea',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C28H32O8',
'functional_sets': [],
'head_id': u'8753cef03e594238a7fc108c7fe84fae',
'inchi': u'InChI=1S/C28H32O8/c1-7-9-11-13-16(29)18-20-21(28(6)22(31)15(3)24(33)36-28)19(17(30)14-12-10-8-2)26(4,23(18)32)25(34)27(20,5)35/h7-14,19-21,32-33,35H,1-6H3/b9-7+,10-8+,13-11+,14-12+/t19-,20-,21-,26-,27?,28+/m1/s1',
'inchi_key': u'WHVXMJOXKCTZQN-CGTFTFIYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 496.2097179839998,
'name': u'3(2H)-Furanone, 2-[(1S,3R,4R)-5,7-dihydroxy-4,7-dimethyl-8-oxo-3,6-bis[(2E,4E)-1-oxo-2,4-hexadien-1-yl]bicyclo[2.2.2]oct-5-en-2-yl]-5-hydroxy-2,4-dimethyl-, (2S)-\n(2S)-2-{(1S,3R,4R)-3,6-Di[(2E,4E)-2,4-hexadienoyl]-5,7-dihydroxy-4,7-dimethyl-8-oxobicyclo[2.2.2]oct-5-en-2-yl}-5-hydroxy-2,4-dimethyl-3(2H)-furanone',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'8753cef03e594238a7fc108c7fe84fae',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C28H36O8',
'functional_sets': [],
'head_id': u'017b12b52977476d92a92b6227ee259f',
'inchi': u'InChI=1S/C28H36O8/c1-13-11-17-25(6,28(23(33)34-8)21(31)14(2)20(30)26(13,28)7)12-16-19-24(4,5)18(35-15(3)29)9-10-27(17,19)22(32)36-16/h11,16-19,31H,9-10,12H2,1-8H3/t16?,17?,18-,19?,25-,26-,27+,28+/m1/s1',
'inchi_key': u'JYWRCSAWBUAIFO-KRRNMHNDSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 500.2410181119998,
'name': u'Methyl (3alpha,6alpha,9xi,14beta)-3-acetoxy-15-hydroxy-4,4,8,12,16-pentamethyl-17,19-dioxo-6,19-epoxyandrosta-11,15-diene-14-carboxylate\nAndrosta-11,15-diene-14-carboxylic acid, 3-(acetyloxy)-6,19-epoxy-15-hydroxy-4,4,8,12,16-pentamethyl-17,19-dioxo-, methyl ester, (3alpha,6alpha,9xi,14beta)-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'017b12b52977476d92a92b6227ee259f',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C28H37N3O7',
'functional_sets': [],
'head_id': u'928d6082988a4a3bbb24245dcef807de',
'inchi': u'InChI=1S/C28H37N3O7/c1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5,7,9-10,13,16-17,19-20,23,26,32H,6,8,11-12,14-15H2,1-4H3,(H,29,34)',
'inchi_key': u'JOOMGSFOCRDAHL-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 527.2631505239999,
'name': u'(7R,10R,11R,12E,17E,19E,21S)-21-Hydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0~3,7~]octacosa-1(27),12,17,19,25(28)-pentaene-2,8,14,23-tetrone\n3H-21,18-Nitrilo-1H,22H-pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone, 8,9,14,15,24,25,26,26a-octahydro-14-hydroxy-4,12-dimethyl-3-(1-methylethyl)-, (3R,4R,5E,10E,12E,14S,26aR)-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'928d6082988a4a3bbb24245dcef807de',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C29H33NO6',
'functional_sets': [],
'head_id': u'10b778accaab415099da461b0465a471',
'inchi': u'InChI=1S/C29H33NO6/c1-17-13-24(35-19(3)27(31)30-16-21-9-11-22(12-10-21)28(32)33)26-18(2)23(29(34)36-25(26)14-17)15-20-7-5-4-6-8-20/h4-8,13-14,19,21-22H,9-12,15-16H2,1-3H3,(H,30,31)(H,32,33)/t19?,21-,22-',
'inchi_key': u'DSUHCVFNFSHVCM-GACLLYPNSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 491.2307877759999,
'name': u'trans-4-[({2-[(3-Benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[[4,7-dimethyl-2-oxo-3-(phenylmethyl)-2H-1-benzopyran-5-yl]oxy]-1-oxopropyl]amino]methyl]-, trans-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'10b778accaab415099da461b0465a471',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C29H33NO6',
'functional_sets': [],
'head_id': u'19507002f5e1466c8866c5a18be01755',
'inchi': u'InChI=1S/C29H33NO6/c1-17-23-13-14-25(18(2)26(23)36-29(34)24(17)15-20-7-5-4-6-8-20)35-19(3)27(31)30-16-21-9-11-22(12-10-21)28(32)33/h4-8,13-14,19,21-22H,9-12,15-16H2,1-3H3,(H,30,31)(H,32,33)/t19?,21-,22-',
'inchi_key': u'IDPOBLGKQBGXKZ-GACLLYPNSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 491.2307877759999,
'name': u'trans-4-[({2-[(3-Benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid\nCyclohexanecarboxylic acid, 4-[[[2-[[4,8-dimethyl-2-oxo-3-(phenylmethyl)-2H-1-benzopyran-7-yl]oxy]-1-oxopropyl]amino]methyl]-, trans-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'19507002f5e1466c8866c5a18be01755',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C29H37NO3',
'functional_sets': [],
'head_id': u'4d68438f4c4e41c2bfba0c395464d2f9',
'inchi': u'InChI=1S/C29H37NO3/c1-19-9-8-12-25-28(19,3)15-13-20(2)29(25,4)18-22-26(32)23(17-24(31)27(22)33)30-16-14-21-10-6-5-7-11-21/h5-7,10-11,17,20,25,30,33H,1,8-9,12-16,18H2,2-4H3/t20-,25+,28+,29+/m0/s1',
'inchi_key': u'CVUGQYANPDQHFV-JEDUBMGFSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 447.27734404399996,
'name': u'2-Hydroxy-5-[(2-phenylethyl)amino]-3-{[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylenedecahydro-1-naphthalenyl]methyl}-1,4-benzoquinone\n2,5-Cyclohexadiene-1,4-dione, 3-[[(1R,2S,4aS,8aS)-decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl]methyl]-2-hydroxy-5-[(2-phenylethyl)amino]-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'4d68438f4c4e41c2bfba0c395464d2f9',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C30H24O9',
'functional_sets': [],
'head_id': u'25e7c04c3b104128acd85412bf906c05',
'inchi': u'InChI=1S/C30H24O9/c1-10-7-13-20-19-12(26(33)28(35)29(13)38-5)8-15(36-3)22-16(37-4)9-14(32)21(24(19)22)25-23(20)17(10)18(11(2)31)30(39-6)27(25)34/h8-9,32H,7H2,1-6H3,(H,33,35)',
'inchi_key': u'KPGRZWCQXQUGHK-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 528.1420323479998,
'name': u'6-Acetyl-1,9-dihydroxy-3,7,11,12-tetramethoxy-5-methyl-2H-cyclohepta[ghi]perylene-2,8(4H)-dione\n2H-Cyclohepta[ghi]perylene-2,8(4H)-dione, 6-acetyl-1,9-dihydroxy-3,7,11,12-tetramethoxy-5-methyl-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'25e7c04c3b104128acd85412bf906c05',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C30H26O10',
'functional_sets': [],
'head_id': u'3e0e260c8c684e4c9b9d855d86d5c146',
'inchi': u'InChI=1S/C30H26O10/c1-10(31)25-24-22-16-11(9-30(25,2)36)28(39-5)26(34)17-12(32)7-14(37-3)19(21(16)17)20-15(38-4)8-13(33)18(23(20)22)27(35)29(24)40-6/h7-8,25,32,35-36H,9H2,1-6H3/t25-,30+/m0/s1',
'inchi_key': u'URTOHKHBNYPGQJ-SETSBSEESA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 546.1525970319998,
'name': u'(1S,2R)-1-Acetyl-2,6,12-trihydroxy-4,8,9,13-tetramethoxy-2-methyl-2,3-dihydro-1H-cyclohepta[ghi]perylene-5,11-dione\n1H-Cyclohepta[ghi]perylene-5,11-dione, 1-acetyl-2,3-dihydro-2,6,12-trihydroxy-4,8,9,13-tetramethoxy-2-methyl-, (1S,2R)-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'3e0e260c8c684e4c9b9d855d86d5c146',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C30H26O13',
'functional_sets': [],
'head_id': u'4b0d5e977f874b4294444008ff09ce7f',
'inchi': u'InChI=1S/C30H26O13/c31-16-5-1-14(2-6-16)3-8-25(36)40-13-24-26(37)27(38)28(39)30(43-24)42-23-12-18-20(34)10-17(32)11-22(18)41-29(23)15-4-7-19(33)21(35)9-15/h1-12,24,26-28,30,37-39H,13H2,(H4-,31,32,33,34,35,36)/t24-,26-,27+,28-,30?/m1/s1',
'inchi_key': u'QAOBEOXFSUJDJL-CQMULRQDSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 594.1373408919999,
'name': u'2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl 6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside\nbeta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl 6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'4b0d5e977f874b4294444008ff09ce7f',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C30H26O13',
'functional_sets': [],
'head_id': u'34f06c9e886142f6af9caca56f1eb677',
'inchi': u'InChI=1S/C30H26O13/c31-16-5-3-15(4-6-16)29-23(12-18-20(34)10-17(32)11-22(18)41-29)42-30-28(39)27(38)26(37)24(43-30)13-40-25(36)8-2-14-1-7-19(33)21(35)9-14/h1-12,24,26-28,30,37-39H,13H2,(H4-,31,32,33,34,35,36)/t24-,26-,27+,28-,30-/m1/s1',
'inchi_key': u'OUWGZZOPFVOIFO-SHPGVJHPSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 594.1373408919999,
'name': u'5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-chromeniumyl 6-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-beta-D-galactopyranoside\nbeta-D-Galactopyranoside, 5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium-3-yl 6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'34f06c9e886142f6af9caca56f1eb677',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C31H44N2O6',
'functional_sets': [],
'head_id': u'88a2d989a3274523a8c12f6eb335c1ac',
'inchi': u'InChI=1S/C31H44N2O6/c1-23(21-29(35)32-20-12-8-11-15-28(34)33-22-30(36)38-5)16-17-24(2)31(39-6)25(3)27(37-4)19-18-26-13-9-7-10-14-26/h7,9-10,12-14,16-21,24-25,27,31H,8,11,15,22H2,1-6H3,(H,32,35)(H,33,34)',
'inchi_key': u'YIOSSWUAQNGRSJ-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 540.3199371279999,
'name': u'Methyl N-[(5Z)-6-{[(2E,4E,6S,7S,8R,9S,10E)-7,9-dimethoxy-3,6,8-trimethyl-11-phenyl-2,4,10-undecatrienoyl]amino}-5-hexenoyl]glycinate\nGlycine, N-[(5Z)-6-[[(2E,4E,6S,7S,8R,9S,10E)-7,9-dimethoxy-3,6,8-trimethyl-1-oxo-11-phenyl-2,4,10-undecatrien-1-yl]amino]-1-oxo-5-hexen-1-yl]-, methyl ester',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'88a2d989a3274523a8c12f6eb335c1ac',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C32H32N4O3',
'functional_sets': [],
'head_id': u'f9b4a102fd1442018829be21f47cb782',
'inchi': u'InChI=1S/C32H32N4O3/c1-38-23-12-13-29(39-2)26(18-23)31-30-25(24-10-6-7-11-27(24)34-30)19-28(35-31)32(37)33-22-14-16-36(17-15-22)20-21-8-4-3-5-9-21/h3-13,18-19,22,35H,14-17,20H2,1-2H3,(H,33,37)',
'inchi_key': u'DSSCFCVACIIGBB-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 520.2474408840001,
'name': u'N-(1-Benzyl-4-piperidinyl)-1-(2,5-dimethoxyphenyl)-2H-beta-carboline-3-carboxamide\n2H-Pyrido[3,4-b]indole-3-carboxamide, 1-(2,5-dimethoxyphenyl)-N-[1-(phenylmethyl)-4-piperidinyl]-',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'f9b4a102fd1442018829be21f47cb782',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C33H34N4O4',
'functional_sets': [],
'head_id': u'5d242b9c3e914b4c905a475194f804fc',
'inchi': u'InChI=1S/C33H34N4O4/c1-39-28-17-22(18-29(40-2)32(28)41-3)30-31-25(24-11-7-8-12-26(24)35-31)19-27(36-30)33(38)34-23-13-15-37(16-14-23)20-21-9-5-4-6-10-21/h4-12,17-19,23,36H,13-16,20H2,1-3H3,(H,34,38)',
'inchi_key': u'DMZLQLNKJANREG-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 550.258005568,
'name': u'2H-Pyrido[3,4-b]indole-3-carboxamide, N-[1-(phenylmethyl)-4-piperidinyl]-1-(3,4,5-trimethoxyphenyl)-\nN-(1-Benzyl-4-piperidinyl)-1-(3,4,5-trimethoxyphenyl)-2H-beta-carboline-3-carboxamide',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'5d242b9c3e914b4c905a475194f804fc',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C33H40O19',
'functional_sets': [],
'head_id': u'8068a499011346168b3a90568ada3c98',
'inchi': u'InChI=1S/C33H40O19/c1-11-21(37)24(40)27(43)31(47-11)46-10-20-23(39)26(42)29(45)33(52-20)50-18-8-15-16(48-30(18)12-2-4-13(35)5-3-12)6-14(36)7-17(15)49-32-28(44)25(41)22(38)19(9-34)51-32/h2-8,11,19-29,31-34,37-45H,9-10H2,1H3,(H-,35,36)/t11-,19+,20-,21-,22+,23-,24+,25-,26+,27+,28+,29-,31?,32?,33?/m0/s1',
'inchi_key': u'YTMOEUVNNYCFEO-WHZYSMHESA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 740.2163790600001,
'name': u'beta-D-Glucopyranoside, 5-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-\n5-(beta-D-Glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-3-chromeniumyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'8068a499011346168b3a90568ada3c98',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C36H36O17',
'functional_sets': [],
'head_id': u'220bde5ad8194afebdd7e54b13271096',
'inchi': u'InChI=1S/C36H36O17/c37-14-25-28(42)30(44)32(46)36(52-25)51-24-13-21-22(49-34(24)17-4-8-19(39)9-5-17)11-20(40)12-23(21)50-35-33(47)31(45)29(43)26(53-35)15-48-27(41)10-3-16-1-6-18(38)7-2-16/h1-13,25-26,28-33,35-37,42-47H,14-15H2,(H2-,38,39,40,41)/t25-,26-,28-,29-,30+,31+,32-,33-,35?,36?/m1/s1',
'inchi_key': u'GBDTYZCMNRLPES-NFETXEPXSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 740.1952496920002,
'name': u'',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'220bde5ad8194afebdd7e54b13271096',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C5H10BO7',
'functional_sets': [],
'head_id': u'8af60d4494f14f669e0f596e8d6a6206',
'inchi': u'InChI=1S/C5H10BO7/c1-4-5(8,3(7)2-11-4)13-6(9,10)12-4/h3,7-10H,2H2,1H3/t3-,4+,5+/m0/s1',
'inchi_key': u'QKXUXRIZSROVFA-VPENINKCSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 193.05195806,
'name': u'',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'8af60d4494f14f669e0f596e8d6a6206',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C5H5NO2',
'functional_sets': [],
'head_id': u'c67db50da6114fdcb571d79ba1543c90',
'inchi': u'InChI=1S/C5H5NO2/c7-5-2-1-3-6(8)4-5/h1-4H,(H-,7,8)',
'inchi_key': u'UUOCOSWXLKRDRD-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 111.0320284,
'name': u'Pyridinium, 1,3-dihydroxy-\n1,3-Dihydroxypyridinium',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'c67db50da6114fdcb571d79ba1543c90',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C5H7N5O2',
'functional_sets': [],
'head_id': u'd8aaedf0aa404a8fabad5d4e0b272480',
'inchi': u'InChI=1S/C5H6N5O2/c6-3-2(8-1-11)4(12)10-5(7)9-3/h1H,(H,8,11)(H4,6,7,9,10,12)/q-1/p+1',
'inchi_key': u'MFIUKRIIWIMTRU-UHFFFAOYSA-O',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 169.059974464,
'name': u'',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'd8aaedf0aa404a8fabad5d4e0b272480',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C5H8N4O3S2',
'functional_sets': [],
'head_id': u'123959713c8943fa9c4c81628b3d70d1',
'inchi': u'InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)/b7-4-',
'inchi_key': u'FLOSMHQXBMRNHR-DAXSKMNVSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 236.003782116,
'name': u'Acetamide, N-[(2Z)-5-(aminosulfonyl)-3-methyl-1,3,4-thiadiazol-2(3H)-ylidene]-\nN-[(2Z)-3-Methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene]acetamide',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'123959713c8943fa9c4c81628b3d70d1',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C6H6N4O',
'functional_sets': [],
'head_id': u'47f6fe8cf7a449938a8d4b67be6ced15',
'inchi': u'InChI=1S/C6H6N4O/c1-10-3-9-5-4(6(10)11)7-2-8-5/h2-3,11H,1H3',
'inchi_key': u'JWVQLFKXYDKWGT-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 150.054160812,
'name': u'1H-Purin-6-ol, 1-methyl-\n1-Methyl-1H-purin-6-ol',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'47f6fe8cf7a449938a8d4b67be6ced15',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C9H15N5O',
'functional_sets': [],
'head_id': u'814781d57e054d1e862936a17f56c94d',
'inchi': u'InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6,10,15H,1-5H2,(H2,11,12)',
'inchi_key': u'IHGXBAMAHRLAOP-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 209.12766009999999,
'name': u'2-Pyrimidinamine, 1,6-dihydro-1-hydroxy-6-imino-4-(1-piperidinyl)-\n2-Amino-6-imino-4-(1-piperidinyl)-1(6H)-pyrimidinol',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'814781d57e054d1e862936a17f56c94d',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C9H15N5O',
'functional_sets': [],
'head_id': u'3a2f94057fa54f2f9a6a78812cb8b420',
'inchi': u'InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6H,1-5,10H2,(H2,11,12)',
'inchi_key': u'ZFMITUMMTDLWHR-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 209.12766009999999,
'name': u'6-(1-Piperidinyl)-2,4-pyrimidinediamine 3-oxide\n2,4-Pyrimidinediamine, 6-(1-piperidinyl)-, 3-oxide\n2-Imino-6-(1-piperidinyl)-1,2-dihydro-4-pyrimidinamine 3-oxide\n4-Pyrimidinamine, 1,2-dihydro-2-imino-6-(1-piperidinyl)-, 3-oxide',
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'3a2f94057fa54f2f9a6a78812cb8b420',
'url': u'',
'username': u'bpb'}, {'creation_time': '2015-12-14T23:36:22',
'description': u'From Fiehn Lab Chemical Translation Service http://cts.fiehnlab.ucdavis.edu/',
'formula': u'C9H16N3O14P3',
'functional_sets': [],
'head_id': u'451784209e6b4cfd88a06c105e934cf2',
'inchi': u'InChI=1S/C9H16N3O14P3/c10-8-5(14)2-12(9(15)11-8)7-1-4(13)6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h2,4,6-7,13-14H,1,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)',
'inchi_key': u'APWMGTRTGVBXNC-UHFFFAOYSA-N',
'last_modified': '2015-12-14T23:36:22',
'mono_isotopic_molecular_weight': 482.98451208199987,
'name': u"2'-Deoxy-5-hydroxycytidine 5'-(tetrahydrogen triphosphate)\nCytidine, 2'-deoxy-5-hydroxy-, 5'-(tetrahydrogen triphosphate)",
'neutralized_2d_inchi': u'',
'neutralized_2d_inchi_key': u'',
'neutralized_inchi': u'',
'neutralized_inchi_key': u'',
'number_components': 0,
'permanent_charge': 0,
'prev_uid': u'',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'451784209e6b4cfd88a06c105e934cf2',
'url': u'',
'username': u'bpb'}]
In [23]:
#add them to the database
metob.store(all_compounds)
In [11]:
allCompounds = metob.retrieve('Compound', name='ABMBA')
for c in allCompounds:
print c.name,c.formula,c.MonoIsotopic_molecular_weight,c.description, c.InChI
ABMBA C8H8BrNO2 228.974 https://pubchem.ncbi.nlm.nih.gov/compound/2774400 InChI=1S/C8H8BrNO2/c1-4-2-5(8(11)12)7(10)6(9)3-4/h2-3H,10H2,1H3,(H,11,12)
In [12]:
%%javascript
var nb = IPython.notebook;
var kernel = IPython.notebook.kernel;
var command = "NOTEBOOK_FULL_PATH = '" + nb.base_url + nb.notebook_path + "'";
kernel.execute(command);
In [13]:
filename = os.path.basename(NOTEBOOK_FULL_PATH)
%system cp $filename /project/projectdirs/openmsi/www/
temp = '%s/%s'%('/project/projectdirs/openmsi/www',filename)
%system chmod 775 $temp
print 'http://nbviewer.ipython.org/url/portal.nersc.gov/project/openmsi/%s?flush_cache=true'%filename
http://nbviewer.ipython.org/url/portal.nersc.gov/project/openmsi/MetAtlas_003_Add_Compounds_To_Database.ipynb?flush_cache=true
In [ ]:
Content source: aitatanit/metatlas
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