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CHEBI:167954 - cis-p-Coumaric acid 4-[apiosyl-(1->2)-glucoside]

ChEBI IDCHEBI:167954
ChEBI Namecis-p-Coumaric acid 4-[apiosyl-(1->2)-glucoside]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O12
Net Charge0
Average Mass458.416
Monoisotopic Mass458.14243
SMILESO=C(O)/C=C/c1ccc(OC2OC(CO)C(O)C(O)C2OC2OCC(O)(CO)C2O)cc1
InChIInChI=1S/C20H26O12/c21-7-12-14(25)15(26)16(32-19-17(27)20(28,8-22)9-29-19)18(31-12)30-11-4-1-10(2-5-11)3-6-13(23)24/h1-6,12,14-19,21-22,25-28H,7-9H2,(H,23,24)/b6-3+
InChIKeyDAVWDWCHQLSZAZ-ZZXKWVIFSA-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)
cis-p-Coumaric acid 4-[apiosyl-(1->2)-glucoside] (CHEBI:167954) is a glycoside (CHEBI:24400)
IUPAC Name 
(E)-3-[4-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid
Manual XrefsDatabases
HMDB0037088HMDB