| 名称 | 内容 |
|---|---|
| kegg编号 | C14053 |
| pubchemid | 854291 |
| name | 9,10-Dihydroergocornine methanesulfonate |
| formula | C31H41N5O5. CH4SO3 |
| structure |  |
| Isomeric_Smiles | CC[C@@H](C(=O)O)SC1=CC=C(C=C1)C(=O)O |
| Cannoical_Smiles | CCC(C(=O)O)SC1=CC=C(C=C1)C(=O)O |
| Gotenzyme_Smiles | CC(C)[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 |
