| 名称 | 内容 |
|---|---|
| kegg编号 | C17132 |
| pubchemid | 135626087 |
| name | Aplysin |
| formula | C15H19BrO |
| structure |  |
| Isomeric_Smiles | CC(C)(C)C1=C(C2=NC(=NN2N1)CCCOC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4S(=O)(=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)NC(=O)C4=CC=CC=C4S(=O)(=O)O)N=NC5=C(C=NN5C6=C(C=CC(=C6)S(=O)(=O)O)S(=O)(=O)O)C#N |
| Gotenzyme_Smiles | Cc1cc2c(cc1Br)[C@]1(C)CC[C@H](C)[C@]1(C)O2 |
