| 名称 | 内容 |
|---|---|
| kegg编号 | C07590 |
| pubchemid | 9792 |
| name | Rofecoxib |
| formula | C17H14O4S |
| structure |  |
| Isomeric_Smiles | CC1C[C@]2(C(=CC1=O)CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)F)C |
| Cannoical_Smiles | CC1CC2(C(=CC1=O)CCC3C2(C(CC4(C3CCC4(C(=O)CO)O)C)O)F)C |
| Gotenzyme_Smiles | CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 |
