| 名称 | 内容 |
|---|---|
| kegg编号 | C14055 |
| pubchemid | 854293 |
| name | Dihydroergotoxine mesylate |
| formula | C28H34N5O5R. CH4SO3 |
| structure |  |
| Isomeric_Smiles | CCN(CC)C1=CC2=C(C=C1)[C@@H](C(=C(O2)N)C#N)C3=CC(=CC=C3)F |
| Cannoical_Smiles | CCN(CC)C1=CC2=C(C=C1)C(C(=C(O2)N)C#N)C3=CC(=CC=C3)F |
| Gotenzyme_Smiles | *[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12.CS(=O)(=O)O |
