| 名称 | 内容 |
|---|---|
| kegg编号 | C17118 |
| pubchemid | 135626084 |
| name | Elatol |
| formula | C15H22BrClO |
| structure |  |
| Isomeric_Smiles | CC1=NN(C(=C1C#N)N=NC2=C(NN3C2=NC(=N3)COC4=CC=C(C=C4)NS(=O)(=O)C)C(C)(C)C)C5=C(C=CC(=C5)S(=O)(=O)O)S(=O)(=O)O |
| Cannoical_Smiles | CC1=NN(C(=C1C#N)N=NC2=C(NN3C2=NC(=N3)COC4=CC=C(C=C4)NS(=O)(=O)C)C(C)(C)C)C5=C(C=CC(=C5)S(=O)(=O)O)S(=O)(=O)O |
| Gotenzyme_Smiles | C=C1C[C@H](O)[C@H](Br)C(C)(C)[C@@]12CCC(C)=C(Cl)C2 |
