| C31H29O14 | 625.554 g/mol |
| Name | Petunidin-3-o-(6"-o-p-coumaroyl)glucoside |
|---|---|
| Alternative name | Petunin |
| Formula | C31H29O14 |
| Formula Weight | 625.55 g/mol |
| Molecular Weight | 625.55 g/mol |
| Monoisotopic Mass | 625.156000 g/mol |
| InChI Key | KTFQEFWNLAUGAX-YQUABMASSA-O |
| IUPAC | 2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium |
| InChI | InChI=1S/C28H32O17/c1-40-15-3-9(2-12(32)19(15)33)26-16(43-28-25(39)23(37)21(35)18(8-30)45-28)6-11-13(41-26)4-10(31)5-14(11)42-27-24(38)22(36)20(34)17(7-29)44-27/h2-6,17-18,20-25,27-30,34-39H,7-8H2,1H3,(H2-,31,32,33)/p+1 |
| SMILES | COC1=C(O)C(O)=CC(=C1)C1=[O+]C2=C(C=C1OC1OC(CO)C(O)C(O)C1O)C(OC1OC(CO)C(O)C(O)C1O)=CC(O)=C2 |
| Food | Grape, |
|---|---|
| Food Source | Concord grape juice, |
| Family | Phenolic |
| Class | Flavonoid |
| Subclass Group | Coumarin derivative |
| Subclass | Anthocyanin |
| Metabolite | Anthocyanin metabolite |