| Name |
Cyanidin 3-(6''-sinapylsophoroside)-5-glucoside |
| Formula |
C44H51O25 |
| Mw |
979.27194218 |
| CAS RN |
119818-02-9,107480-91-1,63003-10-1 |
| C_ID |
C00006845
, 
|
| InChIKey |
UZRSWPNTHVIECF-UNERJOPBNA-O |
| InChICode |
InChI=1S/C44H50O25/c1-60-24-7-16(8-25(61-2)31(24)51)3-6-30(50)62-15-29-34(54)37(57)41(69-43-39(59)36(56)33(53)28(14-46)67-43)44(68-29)65-26-12-19-22(63-40(26)17-4-5-20(48)21(49)9-17)10-18(47)11-23(19)64-42-38(58)35(55)32(52)27(13-45)66-42/h3-12,27-29,32-39,41-46,52-59H,13-15H2,1-2H3,(H3-,47,48,49,50,51)/p+1/t27-,28+,29-,32-,33-,34-,35+,36+,37+,38+,39+,41-,42-,43+,44-/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)c(O)c3)[C@H](O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)C(O)[C@@H]2O)cc(OC)c1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cruciferae | Brassica oleracea  | Ref. |
|
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