| Name |
Cyanidin 3-(6''-ferulylsophoroside)-5-glucoside |
| Formula |
C43H49O24 |
| Mw |
949.2613775 |
| CAS RN |
107500-82-3,29013-15-8 |
| C_ID |
C00006844
, 
|
| InChIKey |
UOUACTHXODLWSX-XTWUHZODNA-O |
| InChICode |
InChI=1S/C43H48O24/c1-59-25-8-16(2-5-21(25)48)3-7-30(50)60-15-29-33(53)36(56)40(67-42-38(58)35(55)32(52)28(14-45)65-42)43(66-29)63-26-12-19-23(61-39(26)17-4-6-20(47)22(49)9-17)10-18(46)11-24(19)62-41-37(57)34(54)31(51)27(13-44)64-41/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 |
c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1cc(c(cc1)O)OC)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)c1ccc(c(c1)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cruciferae | Brassica oleracea  | Ref. |
|
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