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CHEBI:189738 - formononetin 7-glucuronide

ChEBI IDCHEBI:189738
ChEBI Nameformononetin 7-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20O10
Net Charge0
Average Mass444.392
Monoisotopic Mass444.10565
SMILESCOc1ccc(-c2cc(=O)c3ccc(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1
InChIInChI=1S/C22H20O10/c1-29-11-4-2-10(3-5-11)15-9-14(23)13-7-6-12(8-16(13)31-15)30-22-19(26)17(24)18(25)20(32-22)21(27)28/h2-9,17-20,22,24-26H,1H3,(H,27,28)/t17-,18-,19+,20-,22+/m0/s1
InChIKeyKDULJPKZESDTFK-SXFAUFNYSA-N
ChEBI Ontology
Outgoing Relation(s)
formononetin 7-glucuronide (CHEBI:189738) is a flavonoids (CHEBI:72544)
formononetin 7-glucuronide (CHEBI:189738) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid