CHEBI:189735 - genistein 7-glucuronide-4'-sulfate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name genistein 7-glucuronide-4'-sulfate
ChEBI ID CHEBI:189735
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H16O14S.Na.Na
Net Charge 0
Average Mass 570.380
Monoisotopic Mass 570.00561
InChI InChI=1S/C21H18O14S.2Na/c22-12-5-10(33-21-18(26)16(24)17(25)19(34-21)20(27)28)6-13-14(12)15(23)11(7-32-13)8-1-3-9(4-2-8)35-36(29,30)31;;/h1-7,16-19,21-22,24-26H,(H,27,28)(H,29,30,31);;/q;2*+1/p-2/t16-,17-,18+,19-,21+;;/m0../s1
InChIKey JZFIWABEFJYNRS-DSGPYVBMSA-L
SMILES S(OC1=CC=C(C=2C(=O)C=3C(OC2)=CC(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C([O-])=O)=CC3[O-])C=C1)(O)(=O)=O.[Na+].[Na+]
Roles Classification
Chemical Role(s): antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
(via acrovestone )
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via acrovestone )
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.
(via acrovestone )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing genistein 7-glucuronide-4'-sulfate (CHEBI:189735) is a acrovestone (CHEBI:2440)
genistein 7-glucuronide-4'-sulfate (CHEBI:189735) is a isoflavonoid (CHEBI:50753)
IUPAC Name
disodium;(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-oxido-4-oxo-3-(4-sulooxyphenyl)chromen-7-yl]oxyoxane-2-carboxylate
Manual Xref Database
95530994 ChemSpider
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