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CHEBI:186491 - Cladrastin 7-O-glucoside

ChEBI IDCHEBI:186491
ChEBI NameCladrastin 7-O-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H26O11
Net Charge0
Average Mass490.461
Monoisotopic Mass490.14751
SMILESCOc1ccc(-c2coc3cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c(OC)cc3c2=O)cc1OC
InChIInChI=1S/C24H26O11/c1-30-14-5-4-11(6-16(14)31-2)13-10-33-15-8-18(17(32-3)7-12(15)20(13)26)34-24-23(29)22(28)21(27)19(9-25)35-24/h4-8,10,19,21-25,27-29H,9H2,1-3H3/t19?,21-,22+,23?,24-/m1/s1
InChIKeyPMHWEGVKSVMZAG-HSQINTTRSA-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)
Cladrastin 7-O-glucoside (CHEBI:186491) is a acrovestone (CHEBI:2440)
Cladrastin 7-O-glucoside (CHEBI:186491) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
3-(3,4-dimethoxyphenyl)-6-methoxy-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
LMPK12050108LIPID MAPS
24842727ChemSpider