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CHEBI:746931 - Cyanidin-3-O-(trans-p-coumaroyl)-diglucoside

Default Structure
ChEBI IDCHEBI:746931
ChEBI NameCyanidin-3-O-(trans-p-coumaroyl)-diglucoside
Stars
Last Modified17 November 2025
Submitterdoughowe
DownloadsMolfile
FormulaC35H35O18
Net Charge+1
Average Mass743.647
Monoisotopic Mass743.18179
SMILES[H]Oc1c([H])c([H])c(-c2[o+]c3c([H])c(O[H])c([H])c(O[H])c3c([H])c2O[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O[C@H]2O[C@@H](COC(=O)/C=C\c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)c([H])c1O[H]
InChIInChI=1S/C35H34O18/c36-16-5-1-14(2-6-16)3-8-25(41)48-13-24-26(42)27(43)30(46)34(51-24)52-32-28(44)29(45)33(47)53-35(32)50-23-12-18-20(39)10-17(37)11-22(18)49-31(23)15-4-7-19(38)21(40)9-15/h1-12,24,26-30,32-35,42-47H,13H2,(H4-,36,37,38,39,40,41)/p+1/t24-,26-,27+,28+,29+,30-,32-,33+,34+,35-/m0/s1
InChIKeyIDFVTGBTQIGOSZ-YQBGUPIISA-O
ChEBI Ontology
Outgoing Relation(s)
Cyanidin-3-O-(trans-p-coumaroyl)-diglucoside (CHEBI:746931) is a organic molecular entity (CHEBI:50860)
Citations