| 名称 | 内容 |
|---|---|
| kegg编号 | C18230 |
| pubchemid | 103061412 |
| name | Calcitroic acid |
| formula | C23H34O4 |
| structure |  |
| Isomeric_Smiles | C1=CC=C2C(=C1)C(=O)N(N=N2)CC3=CN=C(C=N3)NN |
| Cannoical_Smiles | C1=CC=C2C(=C1)C(=O)N(N=N2)CC3=CN=C(C=N3)NN |
| Gotenzyme_Smiles | C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CC(=O)O)C[C@@H](O)C[C@@H]1O |
