| 名称 | 内容 |
|---|---|
| kegg编号 | C17737 |
| pubchemid | 96024066 |
| name | Allocholic acid |
| formula | C24H40O5 |
| structure |  |
| Isomeric_Smiles | CC1=CC(=C(C(=C1)C)[C@H]2C3=C(CCN2)C=C(C(=C3)C)C)C |
| Cannoical_Smiles | CC1=CC(=C(C(=C1)C)C2C3=C(CCN2)C=C(C(=C3)C)C)C |
| Gotenzyme_Smiles | C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@@H]1C[C@H]3O |
