| 名称 | 内容 |
|---|---|
| kegg编号 | C07480 |
| pubchemid | 9683 |
| name | Theobromine |
| formula | C7H8N4O2 |
| structure |  |
| Isomeric_Smiles | C[N+](C)(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl |
| Cannoical_Smiles | C[N+](C)(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl |
| Gotenzyme_Smiles | Cn1cnc2c1c(=O)[nH]c(=O)n2C |
