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CHEBI:184751 - Bichanin A 7-O-glucoside-6''-malonate

ChEBI IDCHEBI:184751
ChEBI NameBichanin A 7-O-glucoside-6''-malonate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H24O13
Net Charge0
Average Mass532.454
Monoisotopic Mass532.12169
SMILESCOc1ccc(-c2coc3cc(O[C@@H]4OC(COC(=O)CC(=O)O)[C@@H](O)[C@H](O)C4O)cc(O)c3c2=O)cc1
InChIInChI=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)/t17?,22-,23+,24?,25-/m1/s1
InChIKeyVRCBYTZZZFFKEN-NXYYJASPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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)
Bichanin A 7-O-glucoside-6''-malonate (CHEBI:184751) is a acrovestone (CHEBI:2440)
Bichanin A 7-O-glucoside-6''-malonate (CHEBI:184751) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
3-oxo-3-[[(3S,4S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid
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24842785ChemSpider
LMPK12050224LIPID MAPS