| Name |
Pelargonidin 3-[6-(3-glucosylcaffeyl) glucoside] |
| Formula |
C36H37O18 |
| Mw |
757.19798938 |
| CAS RN |
|
| C_ID |
C00006758
, 
|
| InChIKey |
KFWADCOQNMESHV-ZKCOHIMANA-O |
| InChICode |
InChI=1S/C36H36O18/c37-13-25-28(43)30(45)32(47)35(53-25)51-23-9-15(1-7-20(23)40)2-8-27(42)49-14-26-29(44)31(46)33(48)36(54-26)52-24-12-19-21(41)10-18(39)11-22(19)50-34(24)16-3-5-17(38)6-4-16/h1-12,25-26,28-33,35-37,43-48H,13-14H2,(H3-,38,39,40,41,42)/p+1/t25-,26+,28+,29+,30+,31+,32-,33+,35+,36+/m0/s1 |
| SMILES |
O=C(/C=C/c1ccc(O)c(O[C@@H]2O[C@@H](CO)[C@@H](O)C(O)C2O)c1)OCC1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)C(O)C(O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Convolvulaceae | Ipomoea nil  | Ref. |
|
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