CHEBI:190739 - Biochanin A 7-(6-malonylglucoside)

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ChEBI Name Biochanin A 7-(6-malonylglucoside)
ChEBI ID CHEBI:190739
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H24O13
Net Charge 0
Average Mass 532.454
Monoisotopic Mass 532.12169
InChI InChI=1S/C25H24O13/c1-34-12-4-2-11(3-5-12)14-9-35-16-7-13(6-15(26)20(16)21(14)30)37-25-24(33)23(32)22(31)17(38-25)10-36-19(29)8-18(27)28/h2-7,9,17,22-26,31-33H,8,10H2,1H3,(H,27,28)
InChIKey VRCBYTZZZFFKEN-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1OC=2C=C3OC=C(C(=O)C3=C(O)C2)C4=CC=C(OC)C=C4)COC(=O)CC(O)=O
Metabolite of Species Details
Oreochromis niloticus (NCBI:txid8128) Found in serum (BTO:0001239). See: MetaboLights Study
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 Biochanin A 7-(6-malonylglucoside) (CHEBI:190739) is a acrovestone (CHEBI:2440)
Biochanin A 7-(6-malonylglucoside) (CHEBI:190739) is a isoflavonoid (CHEBI:50753)
IUPAC Name
3-oxo-3-[[3,4,5-trihydroxy-6-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid
Manual Xref Database
HMDB0030640 HMDB
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