| 名称 | 内容 |
|---|---|
| kegg编号 | C12292 |
| pubchemid | 14436 |
| name | Ethyl octanoate |
| formula | C10H20O2 |
| structure |  |
| Isomeric_Smiles | C[C@]12CCC3C([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)[C@H](C[C@H]5[C@@]3(CC[C@@H](C5)O)C)O |
| Cannoical_Smiles | CC12CCC(CC1CC(C3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)O)O |
| Gotenzyme_Smiles | CCCCCCCC(=O)OCC |
