| Name |
Simplexin B
(+)-Simplexin B |
| Formula |
C26H44O7 |
| Mw |
468.30870376 |
| CAS RN |
1154411-16-1 |
| C_ID |
C00047569
, 
|
| InChIKey |
NZZIMSYNSHSKMZ-DUOZVYGYNA-N |
| InChICode |
InChI=1S/C26H44O7/c1-8-9-20(29)33-26(7)13-11-19(28)24(5,30)14-18-22-21(23(26)31-18)17(15(2)3)10-12-25(22,6)32-16(4)27/h15,17-19,21-23,28,30H,8-14H2,1-7H3/t17-,18-,19+,21-,22-,23-,24+,25-,26+/m1/s1 |
| SMILES |
CCCC(=O)O[C@@]1(C)CC[C@H](O)[C@@](C)(O)C[C@H]2O[C@@H]1[C@H]1[C@@H]2[C@](C)(OC(C)=O)CC[C@@H]1C(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Klyxum simplex | Ref. |
|
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