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CHEBI:192068 - Genistein 4',7-O-diglucuronide

ChEBI IDCHEBI:192068
ChEBI NameGenistein 4',7-O-diglucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H26O17
Net Charge0
Average Mass622.488
Monoisotopic Mass622.11700
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)cc(O)c4c3=O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C27H26O17/c28-12-5-10(42-27-21(35)17(31)19(33)23(44-27)25(38)39)6-13-14(12)15(29)11(7-40-13)8-1-3-9(4-2-8)41-26-20(34)16(30)18(32)22(43-26)24(36)37/h1-7,16-23,26-28,30-35H,(H,36,37)(H,38,39)/t16-,17-,18-,19-,20+,21+,22-,23-,26+,27+/m0/s1
InChIKeyDFJSPRNCKDBZIJ-MWBUVXCNSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
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)
Genistein 4',7-O-diglucuronide (CHEBI:192068) is a acrovestone (CHEBI:2440)
Genistein 4',7-O-diglucuronide (CHEBI:192068) 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-5-hydroxy-4-oxochromen-3-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0041736HMDB
30777628ChemSpider