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CHEBI:167992 - 1-O-Caffeoylglucose

ChEBI IDCHEBI:167992
ChEBI Name1-O-Caffeoylglucose
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O9
Net Charge0
Average Mass342.300
Monoisotopic Mass342.09508
SMILESO=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+
InChIKeyWQSDYZZEIBAPIN-DUXPYHPUSA-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)
1-O-Caffeoylglucose (CHEBI:167992) has functional parent hydroxycinnamic acid (CHEBI:24689)
1-O-Caffeoylglucose (CHEBI:167992) is a glycoside (CHEBI:24400)
IUPAC Name 
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
HMDB0036937HMDB
13512629ChemSpider