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CHEBI:189737 - biochanin A 7-glucuronide

ChEBI IDCHEBI:189737
ChEBI Namebiochanin A 7-glucuronide
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20O11
Net Charge0
Average Mass460.391
Monoisotopic Mass460.10056
SMILESCOc1ccc(-c2coc3cc(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c2=O)cc1
InChIInChI=1S/C22H20O11/c1-30-10-4-2-9(3-5-10)12-8-31-14-7-11(6-13(23)15(14)16(12)24)32-22-19(27)17(25)18(26)20(33-22)21(28)29/h2-8,17-20,22-23,25-27H,1H3,(H,28,29)/t17-,18-,19+,20-,22+/m0/s1
InChIKeyKXYGEGYBMOCKNJ-SXFAUFNYSA-N
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
EC 1.14.18.1 (tyrosinase) inhibitor  Any EC 1.14.18.* (oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen) inhibitor that interferes with the action of tyrosinase (monophenol monooxygenase), EC 1.14.18.1, an enzyme that catalyses the oxidation of phenols (such as tyrosine) and is widespread in plants and animals.
ChEBI Ontology
Outgoing Relation(s)
biochanin A 7-glucuronide (CHEBI:189737) is a acrovestone (CHEBI:2440)
biochanin A 7-glucuronide (CHEBI:189737) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
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