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CHEBI:80467 - Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)

ChEBI IDCHEBI:80467
ChEBI NameCyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)
Stars
DownloadsMolfile
FormulaC36H37O18
Net Charge+1
Average Mass757.674
Monoisotopic Mass757.19744
SMILESO=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](Oc2cc(O)cc3[o+]c(-c4ccc(O)c(O)c4)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc23)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C36H36O18/c37-13-25-28(43)30(45)32(47)36(53-25)52-24-12-19-22(50-34(24)16-4-7-20(40)21(41)9-16)10-18(39)11-23(19)51-35-33(48)31(46)29(44)26(54-35)14-49-27(42)8-3-15-1-5-17(38)6-2-15/h1-12,25-26,28-33,35-37,43-48H,13-14H2,(H3-,38,39,40,41,42)/p+1/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1
InChIKeyNHTJKRAGLGHCLR-AQAMAIGXSA-O
ChEBI Ontology
Outgoing Relation(s)
Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside) (CHEBI:80467) is a anthocyanidin glycoside (CHEBI:71583)
Manual XrefsDatabases
C16350KEGG COMPOUND