| C24H25O12 | 505.451 g/mol |
| Name | Peonidin‐3‐o‐(6′′acetyl‐galactoside) |
|---|---|
| Alternative name | Peonidin 3-O-(6''-p-coumaroyl-glucoside) |
| Formula | C24H25O12 |
| Formula Weight | 505.45 g/mol |
| Molecular Weight | 505.45 g/mol |
| Monoisotopic Mass | 505.134000 g/mol |
| InChI Key | MBSKDCPWFSMEFD-NDUFDKTRSA-O |
| IUPAC | 3-{[(3R,4S,5S,6R)-6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1lambda4-chromen-1-ylium |
| InChI | InChI=1S/C38H40O17/c1-17-31(44)32(45)28(15-39)54-37(17)52-25-13-21(41)12-24-22(25)14-27(36(51-24)19-6-9-23(42)26(11-19)49-2)53-38-35(48)34(47)33(46)29(55-38)16-50-30(43)10-5-18-3-7-20(40)8-4-18/h3-14,17,28-29,31-35,37-39,44-48H,15-16H2,1-2H3,(H2-,40,41,42,43)/p+1/t17?,28?,29-,31-,32-,33-,34+,35-,37-,38-/m1/s1 |
| SMILES | COC1=C(O)C=CC(=C1)C1=[O+]C2=C(C=C1O[C@@H]1O[C@H](COC(=O)\C=C\C3=CC=C(O)C=C3)[C@@H](O)[C@H](O)[C@H]1O)C(O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1C)=CC(O)=C2 |
| Food | Berry, |
|---|---|
| Food Source | Blueberry, |
| Family | Phenolic |
| Class | Flavonoid |
| Subclass Group | Coumarin derivative |
| Subclass | Anthocyanin |
| Metabolite | Anthocyanin metabolite |