EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H12N2O3 |
| Net Charge | 0 |
| Average Mass | 280.283 |
| Monoisotopic Mass | 280.08479 |
| SMILES | O=C1Oc2ccccc2C(=O)C1=CNCc1ccccn1 |
| InChI | InChI=1S/C16H12N2O3/c19-15-12-6-1-2-7-14(12)21-16(20)13(15)10-17-9-11-5-3-4-8-18-11/h1-8,10,17H,9H2 |
| InChIKey | VWTYCDIMSOFKFH-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-[(2-pyridinylmethylamino)methylidene]-3,4-dihydro-2H-1-benzopyran-2,4-dione (CHEBI:116389) is a chromones (CHEBI:23238) |
| Manual Xrefs | Databases |
|---|---|
| LSM-27843 | LINCS |