| Name |
Withanamide I |
| Formula |
C46H72N2O18 |
| Mw |
940.47801351 |
| CAS RN |
702702-72-5 |
| C_ID |
C00026612
, 
|
| InChIKey |
GAHUNWOQRNFUAG-XFDXZHFCNA-N |
| InChICode |
InChI=1S/C46H72N2O18/c1-26(50)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-34(51)47-20-19-27-22-48-30-18-17-28(21-29(27)30)63-46-43(60)40(57)37(54)33(66-46)25-62-45-42(59)39(56)36(53)32(65-45)24-61-44-41(58)38(55)35(52)31(23-49)64-44/h2-3,6,8,17-18,21-22,26,31-33,35-46,48-50,52-60H,4-5,7,9-16,19-20,23-25H2,1H3,(H,47,51)/b3-2-,8-6-/t26-,31-,32-,33-,35+,36+,37+,38+,39-,40-,41-,42-,43-,44+,45+,46+/m0/s1 |
| SMILES |
O1[C@@H](OC[C@@H]2O[C@@H](Oc3ccc4c(c3)c(c[nH]4)CCNC(=O)CCCC/C=C\C/C=C\CCCCCC[C@@H](O)C)[C@@H](O)[C@H]([C@@H]2O)O)[C@@H](O)[C@H]([C@@H]([C@@H]1CO[C@@H]1O[C@H]([C@@H](O)[C@@H](O)[C@@H]1O)CO)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Pro L-Lys |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Solanaceae | Withania somnifera  | Ref. |
|
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