| Name |
Malvidin 3-O-(6-O-(4-O-(4-O-(6-O-E-p-coumaroyl-beta-D-glucopyranosyl)-E-p-coumaroyl)-alpha-rhamnosyl)-beta-D-glucopyranoside)-5-O-beta-D-glucopyranoside |
| Formula |
C59H67O30 |
| Mw |
1255.37171581 |
| CAS RN |
402935-13-1 |
| C_ID |
C00011101
, 
|
| InChIKey |
OYEOLLSDEVGRBN-YJECNFPSNA-O |
| InChICode |
InChI=1S/C59H66O30/c1-24-54(89-41(64)15-9-26-6-12-30(13-7-26)82-57-50(73)47(70)44(67)38(87-57)22-79-40(63)14-8-25-4-10-28(61)11-5-25)49(72)53(76)56(81-24)80-23-39-45(68)48(71)52(75)59(88-39)85-36-20-31-32(83-55(36)27-16-34(77-2)42(65)35(17-27)78-3)18-29(62)19-33(31)84-58-51(74)46(69)43(66)37(21-60)86-58/h4-20,24,37-39,43-54,56-60,66-76H,21-23H2,1-3H3,(H2-,61,62,63,65)/p+1/b15-9+/t24-,37-,38+,39+,43+,44-,45-,46-,47-,48+,49+,50+,51+,52+,53-,54-,56+,57+,58+,59+/m0/s1 |
| SMILES |
COc1cc(-c2[o+]c3cc(O)cc(O[C@@H]4OC(CO)C(O)[C@H](O)C4O)c3cc2O[C@@H]2O[C@H](CO[C@@H]3OC(C)[C@H](OC(=O)/C=C/c4ccc(O[C@@H]5OC(COC(=O)/C=C/c6ccc(O)cc6)[C@@H](O)[C@H](O)C5O)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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