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Chrysin-7-O-glucuronide

PropertiesImage
MNX_IDMNXM46686 Image of MNXM46686
referencechebi:181485
formulaC21H18O10
global charge0
mol weight430.365
InChIKeyIDRSJGHHZXBATQ-ZFORQUDYSA-N
InChIInChI=1S/C21H18O10/c22-11-6-10(29-21-18(26)16(24)17(25)19(31-21)20(27)28)7-14-15(11)12(23)8-13(30-14)9-4-2-1-3-5-9/h1-8,16-19,21-22,24-26H,(H,27,28)/t16-,17-,18+,19-,21+/m0/s1
SMILESO=C1C=C(C2=CC=CC=C2)OC2=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/C21H18O10/c22-11-6-10(29-21-18(26)16(24)17(25)19(31-21)20(27)28)7-14-15(11)12(23)8-13(30-14)9-4-2-1-3-5-9/h1-8,16-19,21-22,24-26H,(H,27,28)/t16-,17-,18+,19-,21+/m0/s1 Image of MNXM46686
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:9]([C:13]2=[CH:8][C:12](=[O:23])[C:15]3=[C:11]([OH:22])[CH:6]=[C:10]([O:29][C@H:21]4[C@H:18]([OH:26])[C@@H:16]([OH:24])[C@H:17]([OH:25])[C@@H:19]([C:20](=[O:27])[OH:28])[O:31]4)[CH:7]=[C:14]3[O:30]2)[CH:5]=[CH:3]1
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:181485
chebi:181485
IDRSJGHHZXBATQ-ZFORQUDYSA-N 		Chrysin-7-O-glucuronide
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid

lipidmaps:LMPK12110149
lipidmapsM:LMPK12110149
IDRSJGHHZXBATQ-ZFORQUDYSA-N 		Chrysin 7-glucuronide

CHEBI:179453
chebi:179453
IDRSJGHHZXBATQ-ZAJNMQHRSA-N 		Chrysin 7-glucuronide
(3S,4S,6S)-3,4,5-trihydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid

CHEBI:181638
chebi:181638
IDRSJGHHZXBATQ-UHFFFAOYSA-N 		Chrysin-7-O-glucoronide
3,4,5-trihydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid