| kegg编号 |
C20260 |
| pubchemid |
163312000 |
| name |
(+)-Thujan-3-one |
| formula |
C10H16O |
| structure |
 |
| Isomeric_Smiles |
C1CCC(CC1)C[C@H]2[C@H]3C[C@H](CN(C3)C(=O)C4=CN=CS4)[C@H]5N2CCCC5 |
| Cannoical_Smiles |
C1CCC(CC1)CC2C3CC(CN(C3)C(=O)C4=CN=CS4)C5N2CCCC5 |
| Gotenzyme_Smiles |
CC(C)[C@]12CC(=O)[C@@H](C)[C@H]1C2 |