| 名称 | 内容 |
|---|---|
| kegg编号 | C19493 |
| pubchemid | 124490165 |
| name | Estradiol mustard |
| formula | C42H50Cl4N2O4 |
| structure |  |
| Isomeric_Smiles | C1[C@@](SC2=CC=CC=C2N1C=O)(C3=CC=CC=C3)O |
| Cannoical_Smiles | C1C(SC2=CC=CC=C2N1C=O)(C3=CC=CC=C3)O |
| Gotenzyme_Smiles | C[C@]12CC[C@@H]3c4ccc(OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)Cc1ccc(N(CCCl)CCCl)cc1 |
