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CHEBI:131451 - cyanidin 3-O-{6-O-[(Z)-4-coumaroyl]-β-D-glucoside}
| Formula | C30H27O13 |
| Net Charge | +1 |
| Average Mass | 595.533 |
| Monoisotopic Mass | 595.14462 |
| SMILES | O=C(/C=C\c1ccc(O)cc1)OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |
| InChI | InChI=1S/C30H26O13/c31-16-5-1-14(2-6-16)3-8-25(36)40-13-24-26(37)27(38)28(39)30(43-24)42-23-12-18-20(34)10-17(32)11-22(18)41-29(23)15-4-7-19(33)21(35)9-15/h1-12,24,26-28,30,37-39H,13H2,(H4-,31,32,33,34,35,36)/p+1/t24-,26-,27+,28-,30-/m1/s1 |
| InChIKey | QAOBEOXFSUJDJL-SHPGVJHPSA-O |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Vitis vinifera (ncbitaxon:29760) | |||
| - | DOI (10.1007/s11306-010-0259-y) | ||
| - | PubMed (20826702) | ||
| - | PubMed (23759170) | ||
| - | MetaboLights (MTBLS39) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| cyanidin 3-O-{6-O-[(Z)-4-coumaroyl]-β-D-glucoside} (CHEBI:131451) has functional parent cis-4-coumaric acid (CHEBI:17450) |
| cyanidin 3-O-{6-O-[(Z)-4-coumaroyl]-β-D-glucoside} (CHEBI:131451) has functional parent cyanidin cation (CHEBI:27843) |
| cyanidin 3-O-{6-O-[(Z)-4-coumaroyl]-β-D-glucoside} (CHEBI:131451) is a anthocyanin cation (CHEBI:35218) |
| cyanidin 3-O-{6-O-[(Z)-4-coumaroyl]-β-D-glucoside} (CHEBI:131451) is a cinnamate ester (CHEBI:36087) |
| cyanidin 3-O-{6-O-[(Z)-4-coumaroyl]-β-D-glucoside} (CHEBI:131451) is a monosaccharide derivative (CHEBI:63367) |
| cyanidin 3-O-{6-O-[(Z)-4-coumaroyl]-β-D-glucoside} (CHEBI:131451) is a polyphenol (CHEBI:26195) |
| cyanidin 3-O-{6-O-[(Z)-4-coumaroyl]-β-D-glucoside} (CHEBI:131451) is a β-D-glucoside (CHEBI:22798) |
| IUPAC Name |
|---|
| 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyran-1-ium-3-yl 6-O-[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]-β-D-glucopyranoside |
| Synonyms | Source |
|---|---|
| cyanidin 3-O-(6-O-(Z)-p-coumaroyl-β-D-glucoside) | ChEBI |
| cyanidin 3-O-(6-O-cis-p-coumaroyl-β-D-glucoside) | ChEBI |
| cyanidin 3-O-(6-O-cis-4-coumaroyl-β-D-glucoside) | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:11250457 | Reaxys |
| Citations |
|---|