| 名称 | 内容 |
|---|---|
| kegg编号 | C03080 |
| pubchemid | 5978 |
| name | 4-Hydroxyhydratropate |
| formula | C9H10O3 |
| structure |  |
| Isomeric_Smiles | CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O |
| Cannoical_Smiles | CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O |
| Gotenzyme_Smiles | CC(C(=O)O)c1ccc(O)cc1 |
