| Name |
Cyanidin 3-(4'''-caffeylrutinoside) |
| Formula |
C36H37O18 |
| Mw |
757.19798938 |
| CAS RN |
68156-54-7 |
| C_ID |
C00006812
, 
|
| InChIKey |
INHAKCMQWJLNHH-UGIIHXCSNA-O |
| InChICode |
InChI=1S/C36H36O18/c1-14-33(54-27(43)7-3-15-2-5-19(38)22(41)8-15)30(46)32(48)35(50-14)49-13-26-28(44)29(45)31(47)36(53-26)52-25-12-18-21(40)10-17(37)11-24(18)51-34(25)16-4-6-20(39)23(42)9-16/h2-12,14,26,28-33,35-36,44-48H,13H2,1H3,(H5-,37,38,39,40,41,42,43)/p+1/t14-,26-,28-,29+,30-,31-,32-,33+,35-,36-/m1/s1 |
| SMILES |
CC1O[C@@H](OCC2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)C(O)C(O)[C@@H]2O)C(O)[C@@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)c(O)c1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Caryophyllaceae | Silene dioica | Ref. |
|
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