| Name |
Malvidin 3-O-[6-O-(4-O-(4-O-(6-O-(trans-caffeoyl)-beta-D-glucopyranosyl)-trans-p-coumaroyl)-alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside] |
| Formula |
C53H57O26 |
| Mw |
1109.313807 |
| CAS RN |
249514-65-6 |
| C_ID |
C00014826
, 
|
| InChIKey |
QEXIJXCCZOALAC-MMSBRKATNA-O |
| InChICode |
InChI=1S/C53H56O26/c1-22-49(79-39(59)13-7-23-4-9-27(10-5-23)74-52-46(66)43(63)41(61)36(77-52)20-71-38(58)12-8-24-6-11-29(55)31(57)14-24)45(65)48(68)51(73-22)72-21-37-42(62)44(64)47(67)53(78-37)76-35-19-28-30(56)17-26(54)18-32(28)75-50(35)25-15-33(69-2)40(60)34(16-25)70-3/h4-19,22,36-37,41-49,51-53,61-68H,20-21H2,1-3H3,(H4-,54,55,56,57,58,60)/p+1/b13-7+/t22-,36+,37+,41?,42-,43-,44-,45-,46+,47+,48-,49-,51+,52+,53+/m0/s1 |
| SMILES |
COc1cc(-c2[o+]c3cc(O)cc(O)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)c(O)c6)[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 integrifolia subsp. inflata | Ref. |
|
|
zoom in
| Organism | Petunia integrifolia subsp. inflata |
|---|
| Reference | Tatsuzawa,Phytochem.,52,(1999),351 |
|---|
|
