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CHEBI:180827 - 3,4,5-trihydroxy-6-{1-methoxy-1,3-dioxo-3-[(3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]propan-2-yl}oxane-2-carboxylic acid

ChEBI IDCHEBI:180827
ChEBI Name3,4,5-trihydroxy-6-{1-methoxy-1,3-dioxo-3-[(3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]propan-2-yl}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H34O19
Net Charge0
Average Mass722.605
Monoisotopic Mass722.16943
SMILESCOC(=O)C(C(=O)OCC1OC(Oc2cc(O)c3c(=O)c(-c4ccc(OC)cc4)coc3c2)C(O)C(O)C1O)C1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C32H34O19/c1-45-12-5-3-11(4-6-12)14-9-47-16-8-13(7-15(33)18(16)20(14)34)49-32-26(40)22(36)21(35)17(50-32)10-48-31(44)19(30(43)46-2)27-24(38)23(37)25(39)28(51-27)29(41)42/h3-9,17,19,21-28,32-33,35-40H,10H2,1-2H3,(H,41,42)
InChIKeyFNKHXTHWSIPMPJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2150)
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Roles:
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.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-{1-methoxy-1,3-dioxo-3-[(3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]propan-2-yl}oxane-2-carboxylic acid (CHEBI:180827) is a acrovestone (CHEBI:2440)
3,4,5-trihydroxy-6-{1-methoxy-1,3-dioxo-3-[(3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]propan-2-yl}oxane-2-carboxylic acid (CHEBI:180827) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
3,4,5-trihydroxy-6-[1-methoxy-1,3-dioxo-3-[[3,4,5-trihydroxy-6-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propan-2-yl]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0130021HMDB