EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H10N2O4 |
| Net Charge | 0 |
| Average Mass | 258.233 |
| Monoisotopic Mass | 258.06406 |
| SMILES | CCOC(=O)c1cnc2oc3ccccc3n2c1=O |
| InChI | InChI=1S/C13H10N2O4/c1-2-18-12(17)8-7-14-13-15(11(8)16)9-5-3-4-6-10(9)19-13/h3-7H,2H2,1H3 |
| InChIKey | GXIUTNSKSHBGLA-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-oxo-3-pyrimido[2,1-b][1,3]benzoxazolecarboxylic acid ethyl ester (CHEBI:123377) is a benzoxazole (CHEBI:46700) |
| Manual Xrefs | Databases |
|---|---|
| LSM-34819 | LINCS |