| Name |
Peonidin 3-(6''-caffeylsophoroside)-5-glucoside |
| Formula |
C43H49O24 |
| Mw |
949.2613775 |
| CAS RN |
140447-88-7 |
| C_ID |
C00006870
, 
|
| InChIKey |
DGVPBUDMTNUREK-PJMJEEOGNA-O |
| InChICode |
InChI=1S/C43H48O24/c1-59-25-9-17(4-6-21(25)48)39-26(12-19-23(61-39)10-18(46)11-24(19)62-41-37(57)34(54)31(51)27(13-44)64-41)63-43-40(67-42-38(58)35(55)32(52)28(14-45)65-42)36(56)33(53)29(66-43)15-60-30(50)7-3-16-2-5-20(47)22(49)8-16/h2-12,27-29,31-38,40-45,51-58H,13-15H2,1H3,(H3-,46,47,48,49,50)/p+1/t27-,28-,29+,31-,32-,33-,34+,35+,36-,37-,38-,40+,41-,42+,43-/m1/s1 |
| SMILES |
COc1cc(-c2[o+]c3cc(O)cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c3cc2O[C@@H]2OC(COC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H](O)C(O)C2O[C@@H]2OC(CO)[C@@H](O)C(O)[C@H]2O)ccc1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Convolvulaceae | Ipomoea nil  | Ref. |
|
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