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CHEBI:131452 - malvidin 3-O-{6-O-[(Z)-caffeoyl]-β-D-glucoside}
| Formula | C32H31O15 |
| Net Charge | +1 |
| Average Mass | 655.585 |
| Monoisotopic Mass | 655.16575 |
| SMILES | COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](COC(=O)/C=C\c3ccc(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O |
| InChI | InChI=1S/C32H30O15/c1-42-22-8-15(9-23(43-2)27(22)38)31-24(12-17-19(35)10-16(33)11-21(17)45-31)46-32-30(41)29(40)28(39)25(47-32)13-44-26(37)6-4-14-3-5-18(34)20(36)7-14/h3-12,25,28-30,32,39-41H,13H2,1-2H3,(H4-,33,34,35,36,37,38)/p+1/t25-,28-,29+,30-,32-/m1/s1 |
| InChIKey | LIEHUFTYLLDHTI-KWNZYCHBSA-O |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Vitis vinifera (ncbitaxon:29760) | |||
| - | PubMed (23759170) | ||
| - | PubMed (20826702) | ||
| - | MetaboLights (MTBLS39) | ||
| - | DOI (10.1007/s11306-010-0259-y) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| malvidin 3-O-{6-O-[(Z)-caffeoyl]-β-D-glucoside} (CHEBI:131452) has functional parent cis-caffeic acid (CHEBI:17395) |
| malvidin 3-O-{6-O-[(Z)-caffeoyl]-β-D-glucoside} (CHEBI:131452) has functional parent malvidin (CHEBI:6674) |
| malvidin 3-O-{6-O-[(Z)-caffeoyl]-β-D-glucoside} (CHEBI:131452) is a anthocyanin cation (CHEBI:35218) |
| malvidin 3-O-{6-O-[(Z)-caffeoyl]-β-D-glucoside} (CHEBI:131452) is a aromatic ether (CHEBI:35618) |
| malvidin 3-O-{6-O-[(Z)-caffeoyl]-β-D-glucoside} (CHEBI:131452) is a cinnamate ester (CHEBI:36087) |
| malvidin 3-O-{6-O-[(Z)-caffeoyl]-β-D-glucoside} (CHEBI:131452) is a monosaccharide derivative (CHEBI:63367) |
| malvidin 3-O-{6-O-[(Z)-caffeoyl]-β-D-glucoside} (CHEBI:131452) is a polyphenol (CHEBI:26195) |
| malvidin 3-O-{6-O-[(Z)-caffeoyl]-β-D-glucoside} (CHEBI:131452) is a β-D-glucoside (CHEBI:22798) |
| IUPAC Name |
|---|
| 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyran-1-ium-3-yl 6-O-[(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-β-D-glucopyranoside |