| 名称 | 内容 |
|---|---|
| kegg编号 | C17177 |
| pubchemid | 135626092 |
| name | Aplysinal |
| formula | C15H17BrO2 |
| structure |  |
| Isomeric_Smiles | CC(C)(C)C1=C(C2=NC(=NN2N1)CC3=CC=C(C=C3)NC(=O)C(=O)N)N=NC4=C(C=NN4C5=C(C=CC(=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)C |
| Cannoical_Smiles | CC(C)(C)C1=C(C2=NC(=NN2N1)CC3=CC=C(C=C3)NC(=O)C(=O)N)N=NC4=C(C=NN4C5=C(C=CC(=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)C |
| Gotenzyme_Smiles | Cc1cc2c(cc1Br)[C@]1(C)CC[C@H](C)[C@]1(C=O)O2 |
