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CHEBI:169593 - trans-Caffeic acid [apiosyl-(1->6)-glucosyl] ester

ChEBI IDCHEBI:169593
ChEBI Nametrans-Caffeic acid [apiosyl-(1->6)-glucosyl] ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O13
Net Charge0
Average Mass474.415
Monoisotopic Mass474.13734
SMILESO=C(/C=C/c1ccc(O)c(O)c1)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O
InChIInChI=1S/C20H26O13/c21-7-20(29)8-31-19(17(20)28)30-6-12-14(25)15(26)16(27)18(32-12)33-13(24)4-2-9-1-3-10(22)11(23)5-9/h1-5,12,14-19,21-23,25-29H,6-8H2/b4-2+
InChIKeyLULOGYYPGZOKQW-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)
trans-Caffeic acid [apiosyl-(1->6)-glucosyl] ester (CHEBI:169593) has functional parent hydroxycinnamic acid (CHEBI:24689)
trans-Caffeic acid [apiosyl-(1->6)-glucosyl] ester (CHEBI:169593) is a glycoside (CHEBI:24400)
IUPAC Name 
[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
HMDB0033694HMDB