| 名称 | 内容 |
|---|---|
| kegg编号 | C17208 |
| pubchemid | 135626097 |
| name | Neosaxitoxin |
| formula | C10H17N7O5 |
| structure |  |
| Isomeric_Smiles | CC(C)(C)C1=C(C2=NC(=NN2N1)CCCOC3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)C(=O)O)N=NC5=C(C=NN5C6=C(C=CC(=C6)S(=O)(=O)O)S(=O)(=O)O)C#N |
| Cannoical_Smiles | CC(C)(C)C1=C(C2=NC(=NN2N1)CCCOC3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)C(=O)O)N=NC5=C(C=NN5C6=C(C=CC(=C6)S(=O)(=O)O)S(=O)(=O)O)C#N |
| Gotenzyme_Smiles | N=C1N[C@H]2[C@H](COC(N)=O)N(O)C(=N)N3CCC(O)(O)[C@]23N1 |
