| Name |
Withametelin I
(-)-Withametelin I |
| Formula |
C28H36O6 |
| Mw |
468.25118888 |
| CAS RN |
946131-59-5 |
| C_ID |
C00040645
, 
|
| InChIKey |
OBTZJKZMPCCZDQ-ZCDGOQAQNA-N |
| InChICode |
InChI=1S/C28H36O6/c1-14-24(31)33-20-12-25(14,2)32-13-16(20)18-8-7-17-15-10-23-28(34-23)9-5-6-21(29)27(28,4)19(15)11-22(30)26(17,18)3/h5-6,15-20,22-23,30H,1,7-13H2,2-4H3/t15-,16-,17-,18+,19-,20+,22+,23+,25+,26-,27-,28+/m0/s1 |
| SMILES |
C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@H]3C[C@@H](O)[C@]12C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Solanaceae | Datura metel  | Ref. |
|
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