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CHEBI:190871 - 6-[(6-{[3-(3,4-dimethoxyphenyl)-7-methoxy-8-methyl-4-oxo-4H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:190871
ChEBI Name6-[(6-{[3-(3,4-dimethoxyphenyl)-7-methoxy-8-methyl-4-oxo-4H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H36O17
Net Charge0
Average Mass680.612
Monoisotopic Mass680.19525
SMILESCOc1ccc(-c2coc3c(C)c(OC)cc(OC4OC(COC5OC(C(=O)O)C(O)C(O)C5O)C(O)C(O)C4O)c3c2=O)cc1OC
InChIInChI=1S/C31H36O17/c1-11-15(42-3)8-17(19-20(32)13(9-44-27(11)19)12-5-6-14(41-2)16(7-12)43-4)46-31-26(38)22(34)21(33)18(47-31)10-45-30-25(37)23(35)24(36)28(48-30)29(39)40/h5-9,18,21-26,28,30-31,33-38H,10H2,1-4H3,(H,39,40)
InChIKeyOQXTWJWUDDWBJT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
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)
6-[(6-{[3-(3,4-dimethoxyphenyl)-7-methoxy-8-methyl-4-oxo-4H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190871) is a acrovestone (CHEBI:2440)
6-[(6-{[3-(3,4-dimethoxyphenyl)-7-methoxy-8-methyl-4-oxo-4H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190871) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
6-[[6-[3-(3,4-dimethoxyphenyl)-7-methoxy-8-methyl-4-oxochromen-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0129587HMDB