| 名称 | 内容 |
|---|---|
| kegg编号 | C07798 |
| pubchemid | 10000 |
| name | Dihydroergotamine |
| formula | C33H37N5O5 |
| structure |  |
| Isomeric_Smiles | C(CCl)C(F)(F)F |
| Cannoical_Smiles | C(CCl)C(F)(F)F |
| Gotenzyme_Smiles | CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 |
