| C21H21O12 | 465.38 g/mol |
| Name | Delphinidin-3-o-monoglucoside |
|---|---|
| Alternative name | Myrtillin |
| Formula | C21H21O12 |
| Formula Weight | 465.38 g/mol |
| Molecular Weight | 465.38 g/mol |
| Monoisotopic Mass | 465.103000 g/mol |
| InChI Key | ZJWIIMLSNZOCBP-BTTVDUMLSA-N |
| IUPAC | (2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride |
| InChI | InChI=1S/C21H20O12/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27)/p+1/t15-,17-,18+,19-,21-/m1/s1 |
| SMILES | OC[C@H]1O[C@@H](OC2=CC3=C(C=C(O)C=C3O)[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O |
| Food | Grape, |
|---|---|
| Food Source | Grape, |
| Family | Phenolic |
| Class | Flavonoid |
| Subclass Group | Coumarin derivative |
| Subclass | Anthocyanin |
| Metabolite | Anthocyanin metabolite |