| 名称 | 内容 |
|---|---|
| kegg编号 | C09934 |
| pubchemid | 12120 |
| name | Cassinine |
| formula | C44H51NO17 |
| structure |  |
| Isomeric_Smiles | CCOC1=CC=CC(=C1)N |
| Cannoical_Smiles | CCOC1=CC=CC(=C1)N |
| Gotenzyme_Smiles | CC[C@@H]1CCC(=O)O[C@H]2[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4[C@@H](OC(=O)c5ccccc5)[C@]3(O[C@@]4(C)COC(=O)c3cccnc31)[C@@H]2C |
