EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H10N2O2 |
| Net Charge | 0 |
| Average Mass | 238.246 |
| Monoisotopic Mass | 238.07423 |
| SMILES | N#CC(C(=O)Oc1ccccc1)c1ccccn1 |
| InChI | InChI=1S/C14H10N2O2/c15-10-12(13-8-4-5-9-16-13)14(17)18-11-6-2-1-3-7-11/h1-9,12H |
| InChIKey | YWKXAAUIDFETHB-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-20628 (CHEBI:109231) is a benzoate ester (CHEBI:36054) |
| LSM-20628 (CHEBI:109231) is a phenols (CHEBI:33853) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20628 | LINCS |