| Name |
Malvidin-3-(6-o-coumaroyl) glucoside (trans isomer) |
| Alternative name |
Malvidin-3-O-(6-p-coumaroyl)glucoside |
| Formula |
C32H31O14+ |
| Formula Weight |
639.60 g/mol |
| Molecular Weight |
639.60 g/mol |
| Monoisotopic Mass |
639.171000 g/mol |
| InChI Key |
HXQOVGDXCHFLOP-VNAFEJHWSA-O |
| IUPAC |
[(2S,3R,4R,5S,6R)-6-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| InChI |
InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1/t17-,19-,20+,21-,23-/m1/s1 |
| SMILES |
COC1=CC(=CC(OC)=C1O)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |