EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:29560 - cyanidin 3-O-(6-O-(E)-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 |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| cyanidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside) (CHEBI:29560) has functional parent trans-4-coumaric acid (CHEBI:32374) |
| cyanidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside) (CHEBI:29560) has functional parent cyanidin cation (CHEBI:27843) |
| cyanidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside) (CHEBI:29560) is a anthocyanin cation (CHEBI:35218) |
| cyanidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside) (CHEBI:29560) is a cinnamate ester (CHEBI:36087) |
| cyanidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside) (CHEBI:29560) is a monosaccharide derivative (CHEBI:63367) |
| cyanidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside) (CHEBI:29560) is a polyphenol (CHEBI:26195) |
| cyanidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside) (CHEBI:29560) is a β-D-glucoside (CHEBI:22798) |
| IUPAC Name |
|---|
| 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-β-D-glucopyranoside |
| Synonyms | Source |
|---|---|
| Cyanidin 3-O-(6-O-p-coumaroyl)glucoside | KEGG COMPOUND |
| cyanidin 3-O-(6-O-(E)-p-coumaroyl-β-D-glucoside) | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C12095 | KEGG COMPOUND |
| LMPK12010139 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| Reaxys:6556273 | Reaxys |