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CHEBI:190108 - 8-C-Methylquercetin 3-xyloside

ChEBI IDCHEBI:190108
ChEBI Name8-C-Methylquercetin 3-xyloside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O11
Net Charge0
Average Mass448.380
Monoisotopic Mass448.10056
SMILESCc1c(O)cc(O)c2c(=O)c(O[C@@H]3OC[C@@H](O)C(O)C3O)c(-c3ccc(O)c(O)c3)oc12
InChIInChI=1S/C21H20O11/c1-7-10(23)5-12(25)14-16(28)20(32-21-17(29)15(27)13(26)6-30-21)19(31-18(7)14)8-2-3-9(22)11(24)4-8/h2-5,13,15,17,21-27,29H,6H2,1H3/t13-,15?,17?,21+/m1/s1
InChIKeyAQYUIVQHEYVIIK-FXSKXFPISA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
ChEBI Ontology
Outgoing Relation(s)
8-C-Methylquercetin 3-xyloside (CHEBI:190108) is a flavonoids (CHEBI:72544)
8-C-Methylquercetin 3-xyloside (CHEBI:190108) is a glycoside (CHEBI:24400)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-methyl-3-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
24844891ChemSpider
LMPK12112166LIPID MAPS