| Name |
1,2,2'-Trisinapoylgentiobiose |
| Formula |
C45H52O23 |
| Mw |
960.28993797 |
| CAS RN |
155380-01-1 |
| C_ID |
C00057919
|
| InChIKey |
HVHNDGOZMSAQDC-PKCRMPFFSA-N |
| InChICode |
InChI=1S/C45H52O23/c1-57-24-13-21(14-25(58-2)35(24)50)7-10-32(47)66-42-40(55)38(53)30(19-46)64-44(42)63-20-31-39(54)41(56)43(67-33(48)11-8-22-15-26(59-3)36(51)27(16-22)60-4)45(65-31)68-34(49)12-9-23-17-28(61-5)37(52)29(18-23)62-6/h7-18,30-31,38-46,50-56H,19-20H2,1-6H3/b10-7+,11-8+,12-9+/t30-,31-,38-,39-,40+,41+,42-,43-,44-,45+/m1/s1 |
| SMILES |
COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO[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](O)[C@H]2OC(=O)/C=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cruciferae | Brassica oleracea var. italica  | Ref. |
|
|
zoom in
| Organism | Brassica oleracea var. italica |
|---|
| Reference | Haworth, W.N. et al., JCS, 1923, 3120-3125 (struct) |
|---|
|
