| 名称 | 内容 |
|---|---|
| kegg编号 | C19601 |
| pubchemid | 163311899 |
| name | Theobromine, calcium salt |
| formula | (C7H8N4O2)2. Ca |
| structure |  |
| Isomeric_Smiles | C1CC2(CCC3=C2NN=C3)CN(C1)C(=O)C4=CSC(=N4)N |
| Cannoical_Smiles | C1CC2(CCC3=C2NN=C3)CN(C1)C(=O)C4=CSC(=N4)N |
| Gotenzyme_Smiles | Cn1cnc2c1c(=O)[nH]c(=O)n2C.Cn1cnc2c1c(=O)[nH]c(=O)n2C.[CaH2] |
