| Name |
Malvidin 3-O-[6-O-(4-O-Z-p-coumaroyl-alpha-rhamnopyranosyl)-beta-glucopyranoside]-5-O-beta-glucopyranoside |
| Formula |
C44H51O23 |
| Mw |
947.28211294 |
| CAS RN |
226951-59-3 |
| C_ID |
C00011102
, 
|
| InChIKey |
DGGWHUCHBQNSNH-YSCQBISLNA-O |
| InChICode |
InChI=1S/C44H50O23/c1-17-40(67-30(48)9-6-18-4-7-20(46)8-5-18)36(54)39(57)42(61-17)60-16-29-33(51)35(53)38(56)44(66-29)64-27-14-22-23(62-41(27)19-10-25(58-2)31(49)26(11-19)59-3)12-21(47)13-24(22)63-43-37(55)34(52)32(50)28(15-45)65-43/h4-14,17,28-29,32-40,42-45,50-57H,15-16H2,1-3H3,(H2-,46,47,48,49)/p+1/t17-,28-,29+,32-,33-,34-,35+,36-,37+,38-,39-,40-,42+,43+,44+/m0/s1 |
| SMILES |
COc1cc(-c2[o+]c3cc(O)cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c3cc2O[C@@H]2O[C@H](CO[C@@H]3OC(C)[C@H](OC(=O)/C=Cc4ccc(O)cc4)C(O)[C@@H]3O)[C@@H](O)C(O)C2O)cc(OC)c1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Solanaceae | Petunia x hybrida | Ref. |
|
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