| 名称 | 内容 |
|---|---|
| kegg编号 | C19931 |
| pubchemid | 135626397 |
| name | Raucaffrinoline |
| formula | C21H24N2O3 |
| structure |  |
| Isomeric_Smiles | C1=CC=C(C(=C1)C2=NC3=C(NC4=C2C=C(C=C4)Cl)N=CC=C3)Cl |
| Cannoical_Smiles | C1=CC=C(C(=C1)C2=NC3=C(NC4=C2C=C(C=C4)Cl)N=CC=C3)Cl |
| Gotenzyme_Smiles | CC(=O)O[C@@H]1C2[C@H]3C[C@H]4C5=Nc6ccccc6[C@]51C[C@@H]2N4[C@@H](C)[C@@H]3CO |
