| C25H25O14+ | 549.5 g/mol |
| Name | Peonidin 3-(6′′-malonylglucoside) |
|---|---|
| Alternative name | Peonidin 3-(6''-malonyl-glucoside) |
| Formula | C25H25O14+ |
| Formula Weight | 549.50 g/mol |
| Molecular Weight | 549.50 g/mol |
| Monoisotopic Mass | 549.124000 g/mol |
| InChI Key | CKJPGRXYFVEMFF-PMCHZXOLSA-O |
| IUPAC | 3-[[(3S,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid |
| InChI | InChI=1S/C25H24O14/c1-35-16-4-10(2-3-13(16)27)24-17(7-12-14(28)5-11(26)6-15(12)37-24)38-25-23(34)22(33)21(32)18(39-25)9-36-20(31)8-19(29)30/h2-7,18,21-23,25,32-34H,8-9H2,1H3,(H3-,26,27,28,29,30)/p+1/t18-,21-,22+,23-,25-/m1/s1 |
| SMILES | [H][C@]1(COC(=O)CC(O)=O)O[C@@]([H])(OC2=CC3=C(C=C(O)C=C3O)[O+]=C2C2=CC(OC)=C(O)C=C2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O |
| Food | Onion, |
|---|---|
| Food Source | Onion, |
| Family | Phenolic |
| Class | Flavonoid |
| Subclass Group | Coumarin derivative |
| Subclass | Anthocyanin |
| Metabolite | Anthocyanin metabolite |