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CHEBI:80478 - Cyanidin 3-glucoside 5-caffeoylglucoside
| Formula | C36H37O19 |
| Net Charge | +1 |
| Average Mass | 773.673 |
| Monoisotopic Mass | 773.19236 |
| SMILES | O=C(/C=C/c1ccc(O)c(O)c1)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 |
| InChI | InChI=1S/C36H36O19/c37-12-25-28(44)30(46)32(48)36(54-25)53-24-11-17-22(51-34(24)15-3-5-19(40)21(42)8-15)9-16(38)10-23(17)52-35-33(49)31(47)29(45)26(55-35)13-50-27(43)6-2-14-1-4-18(39)20(41)7-14/h1-11,25-26,28-33,35-37,44-49H,12-13H2,(H4-,38,39,40,41,42,43)/p+1/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1 |
| InChIKey | DBWNTBWELCRVQD-AQAMAIGXSA-O |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Cyanidin 3-glucoside 5-caffeoylglucoside (CHEBI:80478) is a anthocyanidin glycoside (CHEBI:71583) |
| Manual Xrefs | Databases |
|---|---|
| C16372 | KEGG COMPOUND |