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CHEBI:85143 - cyanidin 3-O-(2''-O-galloyl-β-D-galactopyranoside)
| Formula | C28H25O15 |
| Net Charge | +1 |
| Average Mass | 601.493 |
| Monoisotopic Mass | 601.11880 |
| SMILES | O=C(O[C@H]1[C@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)O[C@H](CO)[C@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1 |
| InChI | InChI=1S/C28H24O15/c29-9-21-23(37)24(38)26(43-27(39)11-4-17(34)22(36)18(35)5-11)28(42-21)41-20-8-13-15(32)6-12(30)7-19(13)40-25(20)10-1-2-14(31)16(33)3-10/h1-8,21,23-24,26,28-29,37-38H,9H2,(H6-,30,31,32,33,34,35,36,39)/p+1/t21-,23+,24+,26-,28-/m1/s1 |
| InChIKey | WUJWGTHCPFBYPP-WZGYZDFVSA-O |
| Roles Classification |
|---|
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| cyanidin 3-O-(2''-O-galloyl-β-D-galactopyranoside) (CHEBI:85143) has functional parent cyanidin cation (CHEBI:27843) |
| cyanidin 3-O-(2''-O-galloyl-β-D-galactopyranoside) (CHEBI:85143) has role plant metabolite (CHEBI:76924) |
| cyanidin 3-O-(2''-O-galloyl-β-D-galactopyranoside) (CHEBI:85143) is a anthocyanin cation (CHEBI:35218) |
| cyanidin 3-O-(2''-O-galloyl-β-D-galactopyranoside) (CHEBI:85143) is a gallate ester (CHEBI:37576) |
| cyanidin 3-O-(2''-O-galloyl-β-D-galactopyranoside) (CHEBI:85143) is a monosaccharide derivative (CHEBI:63367) |
| cyanidin 3-O-(2''-O-galloyl-β-D-galactopyranoside) (CHEBI:85143) is a β-D-galactoside (CHEBI:28034) |
| cyanidin 3-O-(2''-O-galloyl-β-D-galactopyranoside) (CHEBI:85143) is a β-D-glucoside (CHEBI:22798) |
| IUPAC Name |
|---|
| 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl 2-O-(3,4,5-trihydroxybenzoyl)-β-D-galactopyranoside |
| Registry Numbers | Sources |
|---|---|
| Reaxys:5371568 | Reaxys |