| Name |
Delphinidin pentoside |
| Alternative name |
Delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside |
| Formula |
C29H33O18 |
| Formula Weight |
507.40 g/mol |
| Molecular Weight |
507.40 g/mol |
| Monoisotopic Mass |
507.114000 g/mol |
| InChI Key |
FNFHDAUGLIPVPU-XQKZCQIMSA-O |
| IUPAC |
[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate |
| InChI |
InChI=1S/C23H22O13/c1-8(24)33-7-17-19(30)20(31)21(32)23(36-17)35-16-6-11-12(26)4-10(25)5-15(11)34-22(16)9-2-13(27)18(29)14(28)3-9/h2-6,17,19-21,23,30-32H,7H2,1H3,(H4-,25,26,27,28,29)/p+1/t17-,19-,20+,21-,23-/m1/s1 |
| SMILES |
[H][C@]1(COC(C)=O)O[C@@]([H])(OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C(O)=C2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O |