| Name |
Pelargonidin 3-(6''-caffeylsophoroside)-5-glucoside
Pelargonidin 3-O-(6-O-(trans-caffeyl)-2-O-(beta-D-glucopyranosyl)-beta-D-glucopyranoside)-5-O-(beta-D-glucopyranoside) |
| Formula |
C42H47O23 |
| Mw |
919.25081281 |
| CAS RN |
140614-88-6 |
| C_ID |
C00006787
, 
|
| InChIKey |
VYJJDFOUGLIVBC-WSRMIXNTNA-O |
| InChICode |
InChI=1S/C42H46O23/c43-13-26-30(50)33(53)36(56)40(62-26)60-24-11-19(46)10-23-20(24)12-25(38(59-23)17-3-5-18(45)6-4-17)61-42-39(65-41-37(57)34(54)31(51)27(14-44)63-41)35(55)32(52)28(64-42)15-58-29(49)8-2-16-1-7-21(47)22(48)9-16/h1-12,26-28,30-37,39-44,50-57H,13-15H2,(H3-,45,46,47,48,49)/p+1/t26-,27-,28-,30-,31-,32-,33+,34+,35+,36+,37-,39-,40-,41+,42-/m1/s1 |
| SMILES |
O=C(/C=C/c1ccc(O)c(O)c1)OCC1O[C@@H](Oc2cc3c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)C(O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Convolvulaceae | Ipomoea nil  | Ref. |
| Plantae | Cruciferae | Raphanus sativus | Ref. |
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