| Name |
Cyanidin 3-(6-feruloyl-2'-sinapoylsophoroside) 5-glucoside |
| Formula |
C54H59O28+ |
| Mw |
1155.31928631 |
| CAS RN |
110202-92-1 |
| C_ID |
C00054550
|
| InChIKey |
YDZFANGJNKDDKY-YYRJZIKASA-O |
| InChICode |
InChI=1S/C54H58O28/c1-71-32-12-22(4-8-28(32)59)5-10-39(61)74-21-38-44(66)47(69)51(82-54-50(46(68)43(65)37(20-56)79-54)81-40(62)11-6-23-13-33(72-2)41(63)34(14-23)73-3)53(80-38)77-35-18-26-30(75-49(35)24-7-9-27(58)29(60)15-24)16-25(57)17-31(26)76-52-48(70)45(67)42(64)36(19-55)78-52/h4-18,36-38,42-48,50-56,64-70H,19-21H2,1-3H3,(H4-,57,58,59,60,61,62,63)/p+1/t36-,37-,38-,42-,43-,44-,45+,46+,47+,48-,50-,51-,52-,53-,54+/m1/s1 |
| SMILES |
COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](Oc3cc4c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(=O)/C=C/c3cc(OC)c(O)c(OC)c3)[C@@H](O)[C@@H]2O)ccc1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cruciferae | Brassica oleracea  | Ref. |
|
|
zoom in
| Organism | Brassica oleracea |
|---|
| Reference | Harborne, J.B.Phytochemistry, 1963, 2, 85-97
1964, 3, 151-160
1964, 453-463 (struct, glycosides) |
|---|
|
