| C30H27O13+ | 595.5 g/mol |
| Name | Cyanidin-3-o-(6"-o-p-coumaroyl)glucoside |
|---|---|
| Alternative name | Cyanidin 3-O-(6-O-p-coumaroyl)glucoside |
| Formula | C30H27O13+ |
| Formula Weight | 595.50 g/mol |
| Molecular Weight | 595.50 g/mol |
| Monoisotopic Mass | 595.145000 g/mol |
| InChI Key | QAOBEOXFSUJDJL-SHPGVJHPSA-O |
| IUPAC | [(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| InChI | InChI=1S/C33H40O20/c1-10-21(39)24(42)27(45)31(48-10)47-9-20-23(41)26(44)30(53-32-28(46)25(43)22(40)19(8-34)51-32)33(52-20)50-18-7-13-15(37)5-12(35)6-17(13)49-29(18)11-2-3-14(36)16(38)4-11/h2-7,10,19-28,30-34,39-46H,8-9H2,1H3,(H3-,35,36,37,38)/p+1 |
| SMILES | CC1OC(OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C(O)=C3)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O |
| Food | Grape, |
|---|---|
| Food Source | Concord grape juice, |
| Family | Phenolic |
| Class | Flavonoid |
| Subclass Group | Coumarin derivative |
| Subclass | Anthocyanin |
| Metabolite | Coumarin metabolite |