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

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ChEBI Name cis-p-Coumaric acid 4-[apiosyl-(1->2)-glucoside]
ChEBI ID CHEBI:167954
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H26O12
Net Charge 0
Average Mass 458.416
Monoisotopic Mass 458.14243
InChI InChI=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+
InChIKey DAVWDWCHQLSZAZ-ZZXKWVIFSA-N
SMILES O(C1C(O)C(O)C(OC1OC2=CC=C(C=C2)/C=C/C(O)=O)CO)C3OCC(O)(C3O)CO
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
HMDB0037088 HMDB
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