| Name |
Malvidin 3-O-(6-O-(4-O-(4-O-(6-O-feruloyl-beta-D-glucopyranosyl)-E-p-coumaroyl)-alpha-rhamnosyl)-beta-D-glucopyranoside)-5-O-beta-D-glucopyranoside |
| Formula |
C60H69O31 |
| Mw |
1285.38228049 |
| CAS RN |
402935-12-0 |
| C_ID |
C00011100
, 
|
| InChIKey |
LSCQMHPBMUDNRC-PHNCTTABNA-O |
| InChICode |
InChI=1S/C60H68O31/c1-24-55(91-42(65)14-8-25-5-10-29(11-6-25)84-58-51(74)48(71)45(68)39(89-58)22-81-41(64)13-9-26-7-12-31(63)34(15-26)78-2)50(73)54(77)57(83-24)82-23-40-46(69)49(72)53(76)60(90-40)87-37-20-30-32(85-56(37)27-16-35(79-3)43(66)36(17-27)80-4)18-28(62)19-33(30)86-59-52(75)47(70)44(67)38(21-61)88-59/h5-20,24,38-40,44-55,57-61,67-77H,21-23H2,1-4H3,(H2-,62,63,64,66)/p+1/b14-8+/t24-,38-,39-,40-,44+,45+,46+,47+,48+,49-,50+,51-,52-,53-,54+,55+,57-,58-,59-,60-/m1/s1 |
| SMILES |
COc1cc(/C=C/C(=O)OCC2O[C@@H](Oc3ccc(/C=C/C(=O)O[C@H]4C(C)O[C@@H](OC[C@H]5O[C@@H](Oc6cc7c(O[C@@H]8OC(CO)C(O)[C@H](O)C8O)cc(O)cc7[o+]c6-c6cc(OC)c(O)c(OC)c6)C(O)C(O)[C@@H]5O)[C@@H](O)C4O)cc3)C(O)[C@@H](O)[C@@H]2O)ccc1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Solanaceae | Petunia x hybrida | Ref. |
|
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