EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:77943 - anthocyanidin 3-glucoside 5-[(6-O-4-hydroxycinnamoyl)glucoside] betaine
| Formula | C36H34O17R2 |
| Net Charge | 0 |
| Average Mass (excl. R groups) | 738.645 |
| Monoisotopic Mass (excl. R groups) | 738.17960 |
| SMILES | *c1cc(-c2[o+]c3cc([O-])cc(OC4O[C@H](COC(=O)/C=C/c5ccc(O)cc5)[C@@H](O)[C@H](O)[C@H]4O)c3cc2OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(*)c1O |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| anthocyanidin 3-glucoside 5-[(6-O-4-hydroxycinnamoyl)glucoside] betaine (CHEBI:77943) is a oxonium betaine (CHEBI:51978) |
| anthocyanidin 3-glucoside 5-[(6-O-4-hydroxycinnamoyl)glucoside] betaine (CHEBI:77943) is conjugate base of anthocyanidin 3-glucoside 5-[(6-O-4-hydroxycinnamoyl)glucoside] (CHEBI:71661) |
| Incoming Relation(s) |
| anthocyanidin 3-O-β-D-glucoside 5-O-β-D-[(6-O-(E)-4-coumaroyl)glucoside] betaine (CHEBI:144773) is a anthocyanidin 3-glucoside 5-[(6-O-4-hydroxycinnamoyl)glucoside] betaine (CHEBI:77943) |
| anthocyanidin 3-glucoside 5-[(6-O-4-hydroxycinnamoyl)glucoside] (CHEBI:71661) is conjugate acid of anthocyanidin 3-glucoside 5-[(6-O-4-hydroxycinnamoyl)glucoside] betaine (CHEBI:77943) |
| IUPAC Name |
|---|
| 5-[3-(D-glucopyranosyloxy)-5-({6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-D-glucopyranosyl}oxy)-7-oxidochromenium-2-yl]-2-hydroxy-1,3-phenylene |
| UniProt Name | Source |
|---|---|
| an anthocyanidin 3-glucoside 5-[(6-O-4-hydroxycinnamoyl)glucoside] | UniProt |