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CHEBI:188268 - Irilone 4'-O-glucoside

ChEBI IDCHEBI:188268
ChEBI NameIrilone 4'-O-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20O11
Net Charge0
Average Mass460.391
Monoisotopic Mass460.10056
SMILESO=c1c(-c2ccc(O[C@H]3OC(CO)[C@H](O)C(O)C3O)cc2)coc2cc3c(c(O)c12)OCO3
InChIInChI=1S/C22H20O11/c23-6-14-17(25)19(27)20(28)22(33-14)32-10-3-1-9(2-4-10)11-7-29-12-5-13-21(31-8-30-13)18(26)15(12)16(11)24/h1-5,7,14,17,19-20,22-23,25-28H,6,8H2/t14?,17-,19?,20?,22-/m0/s1
InChIKeySWSLNGRJTHYWLO-PTNPGPGWSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
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)
Irilone 4'-O-glucoside (CHEBI:188268) is a acrovestone (CHEBI:2440)
Irilone 4'-O-glucoside (CHEBI:188268) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
9-hydroxy-7-[4-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-[1,3]dioxolo[4,5-g]chromen-8-one
Manual XrefsDatabases
LMPK12050373LIPID MAPS
24842857ChemSpider