| 名称 | 内容 |
|---|---|
| kegg编号 | C01598 |
| pubchemid | 4752 |
| name | Melatonin |
| formula | C13H16N2O2 |
| structure |  |
| Isomeric_Smiles | CC1C(=O)NC2CC3=C(NC4=CC=CC=C34)SCC(C(=O)N5CC(CC5C(=O)N1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CC(C)(CO)O)C)C(C)O |
| Cannoical_Smiles | CC1C(=O)NC2CC3=C(NC4=CC=CC=C34)SCC(C(=O)N5CC(CC5C(=O)N1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CC(C)(CO)O)C)C(C)O |
| Gotenzyme_Smiles | COc1ccc2[nH]cc(CCNC(C)=O)c2c1 |
