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CHEBI:189731 - daidzein diglucuronide

ChEBI IDCHEBI:189731
ChEBI Namedaidzein diglucuronide
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SubmitterMetaboLights
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FormulaC27H26O16
Net Charge0
Average Mass606.489
Monoisotopic Mass606.12208
SMILESO=C(O)[C@H]1O[C@@H](Oc2ccc(-c3coc4cc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)ccc4c3=O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C27H26O16/c28-15-12-6-5-11(41-27-21(34)17(30)19(32)23(43-27)25(37)38)7-14(12)39-8-13(15)9-1-3-10(4-2-9)40-26-20(33)16(29)18(31)22(42-26)24(35)36/h1-8,16-23,26-27,29-34H,(H,35,36)(H,37,38)/t16-,17-,18-,19-,20+,21+,22-,23-,26+,27+/m0/s1
InChIKeyNSJKNMPSMHSBQD-MWBUVXCNSA-N
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Roles:
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.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
daidzein diglucuronide (CHEBI:189731) is a acrovestone (CHEBI:2440)
daidzein diglucuronide (CHEBI:189731) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
(2S,3S,4S,5R,6S)-6-[4-[7-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-oxochromen-3-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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