| 名称 | 内容 |
|---|---|
| kegg编号 | C16939 |
| pubchemid | 96023428 |
| name | Crataegolic acid |
| formula | C30H48O4 |
| structure |  |
| Isomeric_Smiles | C1CN[C@@H](C2=C1C=CC(=C2F)O)CC3=CC=CC=C3Cl |
| Cannoical_Smiles | C1CNC(C2=C1C=CC(=C2F)O)CC3=CC=CC=C3Cl |
| Gotenzyme_Smiles | CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 |
