| C33H35O22 | 783.618 g/mol |
| Name | Cyanidin 3-(dimalonyl)laminariobioside |
|---|---|
| Alternative name | Cyanidin 3-O-dimalonyl-laminaribioside |
| Formula | C33H35O22 |
| Formula Weight | 783.62 g/mol |
| Molecular Weight | 783.62 g/mol |
| Monoisotopic Mass | 783.162000 g/mol |
| InChI Key | CZWPTLXHQVGOCX-ANCFEZFISA-O |
| IUPAC | 3-{[(2S,3R,4S,5R,6R)-6-{[(2-carboxyacetyl)oxy]methyl}-4-{[(2S,3R,4S,5S,6R)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1λ⁴-chromen-1-ylium |
| InChI | InChI=1S/C33H34O22/c34-12-4-15(36)13-6-18(30(51-17(13)5-12)11-1-2-14(35)16(37)3-11)52-33-29(48)31(26(45)20(54-33)10-50-24(43)8-22(40)41)55-32-28(47)27(46)25(44)19(53-32)9-49-23(42)7-21(38)39/h1-6,19-20,25-29,31-33,44-48H,7-10H2,(H5-,34,35,36,37,38,39,40,41)/p+1/t19-,20-,25-,26-,27+,28-,29-,31+,32+,33-/m1/s1 |
| SMILES | O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](O[C@H]2[C@H](O)[C@@H](COC(=O)CC(O)=O)O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C(O)=C3)[C@@H]2O)[C@H](O)[C@H]1O |
| Food | Onion, |
|---|---|
| Food Source | Onion, |
| Family | Phenolic |
| Class | Flavonoid |
| Subclass Group | Coumarin derivative |
| Subclass | Anthocyanin |
| Metabolite | Coumarin metabolite |