EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H8N2O6 |
| Net Charge | 0 |
| Average Mass | 300.226 |
| Monoisotopic Mass | 300.03824 |
| SMILES | O=C1NC(=O)C(=Cc2coc3ccc(O)cc3c2=O)C(=O)N1 |
| InChI | InChI=1S/C14H8N2O6/c17-7-1-2-10-8(4-7)11(18)6(5-22-10)3-9-12(19)15-14(21)16-13(9)20/h1-5,17H,(H2,15,16,19,20,21) |
| InChIKey | XUPMGKJTBJKYGZ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-[(6-hydroxy-4-oxo-1-benzopyran-3-yl)methylidene]-1,3-diazinane-2,4,6-trione (CHEBI:120592) is a chromones (CHEBI:23238) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32035 | LINCS |