| 名称 | 内容 |
|---|---|
| kegg编号 | C15637 |
| pubchemid | 17396627 |
| name | Pregnenolone carbonitrile |
| formula | C22H31NO2 |
| structure |  |
| Isomeric_Smiles | CCCOC1=CC=CC=C1NC(=O)C2=CC=CC=C2C(F)(F)F |
| Cannoical_Smiles | CCCOC1=CC=CC=C1NC(=O)C2=CC=CC=C2C(F)(F)F |
| Gotenzyme_Smiles | CC(=O)[C@H]1[C@H](C#N)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C |
