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CHEBI:69456 - quercetin-3-O-β-D-xylopyranoside

ChEBI IDCHEBI:69456
ChEBI Namequercetin-3-O-β-D-xylopyranoside
Stars
ASCII Namequercetin-3-O-beta-D-xylopyranoside
DefinitionA quercetin O-glycoside that is quercetin attached to a β-D-xylopyranosyl residue at position 3 via a glycosidic linkage. It has been isolated from Mimosa diplotricha.
Last Modified9 January 2014
DownloadsMolfile
FormulaC20H18O11
Net Charge0
Average Mass434.353
Monoisotopic Mass434.08491
SMILESO=c1c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
InChIInChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15+,17-,20+/m1/s1
InChIKeyPZZRDJXEMZMZFD-BWYUNELBSA-N
Species of MetaboliteComponentSourceComments
Mimosa diplotricha (ncbitaxon:512270) aerial part (BTO:0001658) PubMed (21875046) Ethanolic extract of aerial parts
Roles Classification
Biological Role:
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)
quercetin-3-O-β-D-xylopyranoside (CHEBI:69456) has role plant metabolite (CHEBI:76924)
quercetin-3-O-β-D-xylopyranoside (CHEBI:69456) is a monosaccharide derivative (CHEBI:63367)
quercetin-3-O-β-D-xylopyranoside (CHEBI:69456) is a quercetin O-glycoside (CHEBI:76424)
quercetin-3-O-β-D-xylopyranoside (CHEBI:69456) is a tetrahydroxyflavone (CHEBI:38684)
quercetin-3-O-β-D-xylopyranoside (CHEBI:69456) is a xylose derivative (CHEBI:74865)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl β-D-xylopyranoside
Synonym  Source
reynoutrinChEBI
Registry NumbersSources
Reaxys:1276426Reaxys
Citations