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CHEBI:191509 - 2-O-Caffeoylarbutin

ChEBI IDCHEBI:191509
ChEBI Name2-O-Caffeoylarbutin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O10
Net Charge0
Average Mass434.397
Monoisotopic Mass434.12130
SMILESO=C(/C=C/c1ccc(O)c(O)c1)OC1C(Oc2ccc(O)cc2)OC(CO)C(O)C1O
InChIInChI=1S/C21H22O10/c22-10-16-18(27)19(28)20(21(30-16)29-13-5-3-12(23)4-6-13)31-17(26)8-2-11-1-7-14(24)15(25)9-11/h1-9,16,18-25,27-28H,10H2/b8-2+
InChIKeySAHZOJQMDIDFST-KRXBUXKQSA-N
Species of MetaboliteComponentSourceComments
Solanum tuberosum (ncbitaxon:4113) leaf (BTO:0000713) MetaboLights (MTBLS4365)
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
2-O-Caffeoylarbutin (CHEBI:191509) is a glycoside (CHEBI:24400)
IUPAC Name 
[4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
HMDB0031347HMDB