| C28H33O16+ | 625.6 g/mol |
| Name | Petunidin‐3‐o‐xyloside |
|---|---|
| Alternative name | Petunidin 3-rutinoside |
| Formula | C28H33O16+ |
| Formula Weight | 625.60 g/mol |
| Molecular Weight | 625.60 g/mol |
| Monoisotopic Mass | 625.177000 g/mol |
| InChI Key | IWTWNQZWPPSSQB-MTUZZJJTSA-O |
| IUPAC | (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol |
| InChI | InChI=1S/C28H32O16/c1-9-19(32)22(35)24(37)27(41-9)40-8-18-21(34)23(36)25(38)28(44-18)43-17-7-12-13(30)5-11(29)6-15(12)42-26(17)10-3-14(31)20(33)16(4-10)39-2/h3-7,9,18-19,21-25,27-28,32,34-38H,8H2,1-2H3,(H3-,29,30,31,33)/p+1/t9-,18+,19-,21+,22+,23-,24+,25+,27+,28+/m0/s1 |
| SMILES | COC1=C(O)C(O)=CC(=C1)C1=[O+]C2=C(C=C1O[C@@H]1O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)C(O)=CC(O)=C2 |
| Food | Berry, |
|---|---|
| Food Source | Blueberry, |
| Family | Phenolic |
| Class | Flavonoid |
| Subclass Group | Coumarin derivative |
| Subclass | Anthocyanin |
| Metabolite | Anthocyanin metabolite |