| Name |
Withametelin K
(-)-Withametelin K |
| Formula |
C28H36O6 |
| Mw |
468.25118888 |
| CAS RN |
946131-61-9 |
| C_ID |
C00040647
, 
|
| InChIKey |
TZOSGGFUWXSGEZ-ZIRWKPESNA-N |
| InChICode |
InChI=1S/C28H36O6/c1-14-25(32)34-22-12-26(14,2)33-13-16(22)18-9-8-17-15-10-21(29)19-6-5-7-23(30)28(19,4)20(15)11-24(31)27(17,18)3/h5-7,15-18,20-22,24,29,31H,1,8-13H2,2-4H3/t15-,16-,17-,18+,20-,21+,22+,24+,26+,27-,28-/m0/s1 |
| SMILES |
C1=CC=C2[C@](C1=O)([C@@H]1[C@@H](C[C@H]2O)[C@H]2[C@]([C@@H](C1)O)([C@H](CC2)[C@@H]1CO[C@]2(C(=C)C(=O)O[C@@H]1C2)C)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Solanaceae | Datura metel  | Ref. |
|
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