| 名称 | 内容 |
|---|---|
| kegg编号 | C07481 |
| pubchemid | 9684 |
| name | Caffeine |
| formula | C8H10N4O2 |
| structure |  |
| Isomeric_Smiles | CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)O)O |
| Cannoical_Smiles | CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)O)O |
| Gotenzyme_Smiles | Cn1c(=O)c2c(ncn2C)n(C)c1=O |
