| C28H33O15+ | 609.6 g/mol |
| Name | Peonidin 3-o-rutinose |
|---|---|
| Alternative name | Peonidin 3-rutinoside |
| Formula | C28H33O15+ |
| Formula Weight | 609.60 g/mol |
| Molecular Weight | 609.60 g/mol |
| Monoisotopic Mass | 609.182000 g/mol |
| InChI Key | ONQVTPMFYSRRLL-XPBTXNSHSA-O |
| IUPAC | (2R,4S,5R)-2-[[(3S,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol |
| InChI | InChI=1S/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1/t17-,18-,19+,20-,22-/m1/s1 |
| SMILES | COC1=C(O)C=CC(=C1)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| Food | Berry, |
|---|---|
| Food Source | Blueberry, |
| Family | Phenolic |
| Class | Flavonoid |
| Subclass Group | Coumarin derivative |
| Subclass | Anthocyanin |
| Metabolite | Anthocyanin metabolite |