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CHEBI:169742 - Quercetin 3'-isobutyrate

ChEBI IDCHEBI:169742
ChEBI NameQuercetin 3'-isobutyrate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H16O8
Net Charge0
Average Mass372.329
Monoisotopic Mass372.08452
SMILESCC(C)C(=O)Oc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O
InChIInChI=1S/C19H16O8/c1-8(2)19(25)27-13-5-9(3-4-11(13)21)18-17(24)16(23)15-12(22)6-10(20)7-14(15)26-18/h3-8,20-22,24H,1-2H3
InChIKeyCDEJOLJALIACLC-UHFFFAOYSA-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'-isobutyrate (CHEBI:169742) is a hydroxyflavan (CHEBI:72010)
IUPAC Name 
[2-hydroxy-5-(3,5,7-trihydroxy-4-oxochromen-2-yl)phenyl] 2-methylpropanoate
Manual XrefsDatabases
LMPK12112301LIPID MAPS
24845005ChemSpider