| Name |
(3,4-Disinapoyl)fructofuranosyl-(6-sinapoyl)glucopyranoside |
| Formula |
C45H52O23 |
| Mw |
960.28993797 |
| CAS RN |
145631-61-4 |
| C_ID |
C00059972
|
| InChIKey |
PDIAXHCFRUNKBX-TWNLTENGSA-N |
| InChICode |
InChI=1S/C45H52O23/c1-57-25-13-22(14-26(58-2)36(25)51)7-10-33(48)63-20-32-39(54)40(55)41(56)44(64-32)68-45(21-47)43(66-35(50)12-9-24-17-29(61-5)38(53)30(18-24)62-6)42(31(19-46)67-45)65-34(49)11-8-23-15-27(59-3)37(52)28(16-23)60-4/h7-18,31-32,39-44,46-47,51-56H,19-21H2,1-6H3/b10-7+,11-8+,12-9+/t31-,32-,39-,40+,41-,42?,43+,44-,45+/m1/s1 |
| SMILES |
COc1cc(C=CC(=O)OCC2OC(OC3(CO)OC(CO)C(OC(=O)C=Cc4cc(OC)c(O)c(OC)c4)C3OC(=O)C=Cc3cc(OC)c(O)c(OC)c3)C(O)C(O)C2O)cc(OC)c1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cruciferae | Raphanus sativus  | Ref. |
|
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