| 名称 | 内容 |
|---|---|
| kegg编号 | C09185 |
| pubchemid | 11377 |
| name | Simplexin |
| formula | C30H44O8 |
| structure |  |
| Isomeric_Smiles | C1=CC2=C(C=C(C=C2)N)N=C1 |
| Cannoical_Smiles | C1=CC2=C(C=C(C=C2)N)N=C1 |
| Gotenzyme_Smiles | C=C(C)[C@]12C[C@@H](C)[C@@]34OC(CCCCCCCCC)(O[C@@H]1[C@@H]3[C@@H]1O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@H]14)O2 |
