| Name |
Pelargonidin 3-O-[6-O-(E)-feruloyl-2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside)
Pelargonidin 3-(6-ferulyl-2-glucosylglucoside)-5-glucoside |
| Formula |
C43H49O23 |
| Mw |
933.26646288 |
| CAS RN |
185027-87-6 |
| C_ID |
C00014838
, 
|
| InChIKey |
IBQMSPNJNBDIEA-XFWKPHRFNA-O |
| InChICode |
InChI=1S/C43H48O23/c1-58-25-10-17(2-8-22(25)48)3-9-30(49)59-16-29-33(52)36(55)40(66-42-38(57)35(54)32(51)28(15-45)64-42)43(65-29)62-26-13-21-23(60-39(26)18-4-6-19(46)7-5-18)11-20(47)12-24(21)61-41-37(56)34(53)31(50)27(14-44)63-41/h2-13,27-29,31-38,40-45,50-57H,14-16H2,1H3,(H2-,46,47,48,49)/p+1/t27-,28-,29+,31-,32-,33-,34+,35+,36+,37-,38-,40+,41-,42+,43-/m1/s1 |
| SMILES |
COc1cc(/C=C/C(=O)OCC2O[C@@H](Oc3cc4c(O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)cc(O)cc4[o+]c3-c3ccc(O)cc3)C(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)[C@@H](O)[C@@H]2O)ccc1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cruciferae | Raphanus sativus  | Ref. |
|
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