| Name |
Simplexin I
(+)-Simplexin I |
| Formula |
C26H42O9 |
| Mw |
498.28288294 |
| CAS RN |
1154411-28-5 |
| C_ID |
C00047576
, 
|
| InChIKey |
CMFFEVGUTXFGMQ-BYWAKFEQNA-N |
| InChICode |
InChI=1S/C26H42O9/c1-13(2)20-17(30)11-26(8,35-16(5)29)22-18-12-24(6,31)19(32-14(3)27)9-10-25(7,34-15(4)28)23(33-18)21(20)22/h13,17-23,30-31H,9-12H2,1-8H3/t17-,18-,19+,20+,21-,22-,23-,24+,25+,26-/m1/s1 |
| SMILES |
CC(=O)O[C@H]1CC[C@](C)(OC(C)=O)[C@@H]2O[C@H](C[C@]1(C)O)[C@@H]1[C@H]2[C@@H](C(C)C)[C@H](O)C[C@@]1(C)OC(C)=O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Klyxum simplex | Ref. |
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