| Name |
Peonidin 3-(6''-caffeylgucoside) |
| Formula |
C31H29O14 |
| Mw |
625.15573064 |
| CAS RN |
164584-53-6,68795-38-0 |
| C_ID |
C00006862
, 
|
| InChIKey |
HAJIFDLIYRCSKS-MPMBALDSNA-O |
| InChICode |
InChI=1S/C31H28O14/c1-41-23-9-15(4-6-19(23)34)30-24(12-17-20(35)10-16(32)11-22(17)43-30)44-31-29(40)28(39)27(38)25(45-31)13-42-26(37)7-3-14-2-5-18(33)21(36)8-14/h2-12,25,27-29,31,38-40H,13H2,1H3,(H4-,32,33,34,35,36,37)/p+1/t25-,27-,28+,29-,31-/m1/s1 |
| SMILES |
COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2OC(COC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H](O)C(O)C2O)ccc1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Vitaceae | Vitis cinerea | Ref. |
| Plantae | Vitaceae | Vitis vinifera  | Ref. |
|
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