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CHEBI:167916 - Quercetin 3-arabinoside

Default Structure
ChEBI IDCHEBI:167916
ChEBI NameQuercetin 3-arabinoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18O11
Net Charge0
Average Mass434.353
Monoisotopic Mass434.08491
SMILESO=c1c(O[C@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
InChIInChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15-,17+,20+/m0/s1
InChIKeyBDCDNTVZSILEOY-BQCJVYABSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Quercetin 3-arabinoside (CHEBI:167916) is a flavonoids (CHEBI:72544)
Quercetin 3-arabinoside (CHEBI:167916) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Manual XrefsDatabases
8427825ChemSpider
HMDB0033795HMDB