| Name |
Cyanidin 3-(6,6'-disinapoylsophoroside) 5-glucoside |
| Formula |
C55H61O29 |
| Mw |
1185.32985099 |
| CAS RN |
185044-09-1 |
| C_ID |
C00054551
|
| InChIKey |
FJDJRFBMPOVWCH-MZRBAQIQSA-O |
| InChICode |
InChI=1S/C55H60O29/c1-72-31-11-22(12-32(73-2)42(31)62)5-9-40(60)76-21-39-47(67)50(70)53(78-35-19-36(45(65)48(68)44(35)64)83-84-41(61)10-6-23-13-33(74-3)43(63)34(14-23)75-4)55(82-39)80-37-18-26-29(77-52(37)24-7-8-27(58)28(59)15-24)16-25(57)17-30(26)79-54-51(71)49(69)46(66)38(20-56)81-54/h5-18,35-36,38-39,44-51,53-56,64-71H,19-21H2,1-4H3,(H4-,57,58,59,60,61,62,63)/p+1/t35-,36+,38-,39-,44+,45-,46-,47-,48-,49+,50+,51-,53-,54-,55-/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]3C[C@H](OOC(=O)/C=C/c4cc(OC)c(O)c(OC)c4)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)cc(OC)c1O |
| 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) |
|---|
|
