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CHEBI:752693 - theobromine calcium salicylate
| Formula | Ca.C7H7N4O2.C7H5O3 |
| Net Charge | 0 |
| Average Mass | 356.351 |
| Monoisotopic Mass | 356.04336 |
| SMILES | Cn1cnc2c1c(=O)[n-]c(=O)n2C.O=C([O-])c1ccccc1O.[Ca+2] |
| InChI | InChI=1S/C7H8N4O2.C7H6O3.Ca/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2;8-6-4-2-1-3-5(6)7(9)10;/h3H,1-2H3,(H,9,12,13);1-4,8H,(H,9,10);/q;;+2/p-2 |
| InChIKey | UFGVUHDWEQMLGF-UHFFFAOYSA-L |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| theobromine calcium salicylate (CHEBI:752693) is a oxopurine (CHEBI:25810) |
| Synonyms | Source |
|---|---|
| Calcium diuretin | ChEMBL |
| Theobromine calcium salicylate | ChEMBL |
| Theosalicin | ChEMBL |
| Brand Name | Source |
|---|---|
| Theocalcin | ChEMBL |