| 名称 | 内容 |
|---|---|
| kegg编号 | C07544 |
| pubchemid | 9747 |
| name | Ergotamine |
| formula | C33H35N5O5 |
| structure |  |
| Isomeric_Smiles | C(CCCS(=O)(=O)Cl)CCF |
| Cannoical_Smiles | C(CCCS(=O)(=O)Cl)CCF |
| Gotenzyme_Smiles | CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)C4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)CC21 |
