EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C21H21O11 |
| Net Charge | +1 |
| Average Mass | 449.388 |
| Monoisotopic Mass | 449.10784 |
| SMILES | 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/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17+,18+,19-,21-/m1/s1 |
| InChIKey | RKWHWFONKJEUEF-WVXKDWSHSA-O |
| Roles Classification |
|---|
| Biological Roles: | food component A physiological role played by any substance that is distributed in foodstuffs. It includes materials derived from plants or animals, such as vitamins or minerals, as well as environmental contaminants. 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-β-D-galactoside (CHEBI:27475) has functional parent cyanidin cation (CHEBI:27843) |
| cyanidin 3-O-β-D-galactoside (CHEBI:27475) has role food component (CHEBI:78295) |
| cyanidin 3-O-β-D-galactoside (CHEBI:27475) has role plant metabolite (CHEBI:76924) |
| cyanidin 3-O-β-D-galactoside (CHEBI:27475) is a anthocyanin cation (CHEBI:35218) |
| cyanidin 3-O-β-D-galactoside (CHEBI:27475) is a monosaccharide derivative (CHEBI:63367) |
| cyanidin 3-O-β-D-galactoside (CHEBI:27475) is a β-D-galactoside (CHEBI:28034) |
| cyanidin 3-O-β-D-galactoside (CHEBI:27475) is conjugate acid of cyanidin 3-O-β-D-galactoside betaine (CHEBI:71515) |
| Incoming Relation(s) |
| cyanidin 3-O-β-D-galactoside chloride (CHEBI:37664) has part cyanidin 3-O-β-D-galactoside (CHEBI:27475) |
| cyanidin 3-O-β-D-galactoside betaine (CHEBI:71515) is conjugate base of cyanidin 3-O-β-D-galactoside (CHEBI:27475) |
| IUPAC Name |
|---|
| 3-(β-D-galactopyranosyloxy)-3',4',5,7-tetrahydroxyflavylium |
| Synonym | Source |
|---|---|
| Cyanidin 3-O-galactoside | KEGG COMPOUND |
| Citations |
|---|