| 名称 | 内容 |
|---|---|
| kegg编号 | C08855 |
| pubchemid | 11048 |
| name | Calotropin |
| formula | C29H40O9 |
| structure |  |
| Isomeric_Smiles | C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Br)[O-])Br)Br)Br)C(=O)[O-].[Na+].[Na+] |
| Cannoical_Smiles | C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Br)[O-])Br)Br)Br)C(=O)[O-].[Na+].[Na+] |
| Gotenzyme_Smiles | C[C@@H]1C[C@H](O)[C@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](C6=CC(=O)OC6)CC[C@]54O)C[C@H]3O[C@@H]2O1 |
