| Name |
Spinosin 6'''-(E)-sinapoyl ester
Swertisin 6'''-O-sinapoyl 2''-O-glucoside |
| Formula |
C39H42O19 |
| Mw |
814.23202916 |
| CAS RN |
77690-91-6 |
| C_ID |
C00006337
, 
|
| InChIKey |
BFWPTYMTWQBGHH-ODESJISJNA-N |
| InChICode |
InChI=1S/C39H42O19/c1-51-21-13-22-28(19(42)12-20(55-22)17-5-7-18(41)8-6-17)33(47)29(21)37-38(35(49)31(45)25(14-40)56-37)58-39-36(50)34(48)32(46)26(57-39)15-54-27(43)9-4-16-10-23(52-2)30(44)24(11-16)53-3/h4-13,25-26,31-32,34-41,44-50H,14-15H2,1-3H3/b9-4+/t25-,26+,31+,32+,34+,35-,36+,37-,38+,39-/m0/s1 |
| SMILES |
COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](OC3[C@@H](O)[C@H](O)C(CO)O[C@H]3c3c(OC)cc4oc(-c5ccc(O)cc5)cc(=O)c4c3O)C(O)C(O)[C@@H]2O)cc(OC)c1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rhamnaceae | Ziziphus jujuba  | Ref. |
| Plantae | Rhamnaceae | Zizyphus jujuba | Ref. |
|
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