| 名称 | 内容 |
|---|---|
| kegg编号 | C02538 |
| pubchemid | 5545 |
| name | Estrone 3-sulfate |
| formula | C18H22O5S |
| structure |  |
| Isomeric_Smiles | CC(CNC(=O)C1=CC=CC=C1)C(=O)OCC(=O)C23C(CC4C2(CC(C5(C4CCC6=CC(=O)C=CC65C)F)O)C)OC(O3)(C)C |
| Cannoical_Smiles | CC(CNC(=O)C1=CC=CC=C1)C(=O)OCC(=O)C23C(CC4C2(CC(C5(C4CCC6=CC(=O)C=CC65C)F)O)C)OC(O3)(C)C |
| Gotenzyme_Smiles | C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O |
