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Genistein 7-O-glucuronide

PropertiesImage
MNX_IDMNXM125974 Image of MNXM125974
referencechebi:176131
formulaC21H18O11
global charge0
mol weight446.364
InChIKeyJIVINIISUDEORF-ZFORQUDYSA-N
InChIInChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)11-7-30-13-6-10(5-12(23)14(13)15(11)24)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1
SMILESO=C1C(C2=CC=C(O)C=C2)=COC2=CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)=CC(O)=C12
MNX internals
InChI (mnx)InChI=1/C21H18O11/c22-9-3-1-8(2-4-9)11-7-30-13-6-10(5-12(23)14(13)15(11)24)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1 Image of MNXM125974
SMILES (mnx)[CH:1]1=[CH:3][C:9]([OH:22])=[CH:4][CH:2]=[C:8]1[C:11]1=[CH:7][O:30][C:13]2=[CH:6][C:10]([O:31][C@H:21]3[C@H:18]([OH:27])[C@@H:16]([OH:25])[C@H:17]([OH:26])[C@@H:19]([C:20](=[O:28])[OH:29])[O:32]3)=[CH:5][C:12]([OH:23])=[C:14]2[C:15]1=[O:24]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:176131
chebi:176131
JIVINIISUDEORF-ZFORQUDYSA-N 		Genistein 7-O-glucuronide
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
hmdb:HMDB0257973
JIVINIISUDEORF-UHFFFAOYSA-N 		(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
3,4,5-Trihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylate
3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid
3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxane-2-carboxylic acid
hmdb:HMDB0041739
JIVINIISUDEORF-ZFORQUDYSA-N 		Genistein 7-O-glucuronide
(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylate
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxane-2-carboxylic acid

hmdb:HMDB41739 		secondary/obsolete/fantasy identifier