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CHEBI:191813 - Cicerin 7-(6-malonylglucoside)

ChEBI IDCHEBI:191813
ChEBI NameCicerin 7-(6-malonylglucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H26O15
Net Charge0
Average Mass578.479
Monoisotopic Mass578.12717
SMILESCOc1cc2c(cc1C1COc3cc(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)cc(O)c3C1=O)OCO2
InChIInChI=1S/C26H26O15/c1-35-14-5-16-15(38-9-39-16)4-11(14)12-7-36-17-3-10(2-13(27)21(17)22(12)31)40-26-25(34)24(33)23(32)18(41-26)8-37-20(30)6-19(28)29/h2-5,12,18,23-27,32-34H,6-9H2,1H3,(H,28,29)
InChIKeyLTKZEZHCMRVAQG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
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)
Cicerin 7-(6-malonylglucoside) (CHEBI:191813) is a acrovestone (CHEBI:2440)
Cicerin 7-(6-malonylglucoside) (CHEBI:191813) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
3-oxo-3-[[3,4,5-trihydroxy-6-[[5-hydroxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxan-2-yl]methoxy]propanoic acid
Manual XrefsDatabases
HMDB0040604HMDB