EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H12ClNO3 |
| Net Charge | 0 |
| Average Mass | 337.762 |
| Monoisotopic Mass | 337.05057 |
| SMILES | O=C(O)C(=O)C(=Cc1cccc(Cl)c1)c1ccc2ccccc2n1 |
| InChI | InChI=1S/C19H12ClNO3/c20-14-6-3-4-12(10-14)11-15(18(22)19(23)24)17-9-8-13-5-1-2-7-16(13)21-17/h1-11H,(H,23,24) |
| InChIKey | DWKGOIIGYLCWPS-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-(3-chlorophenyl)-2-oxo-3-(2-quinolinyl)-3-butenoic acid (CHEBI:108030) has functional parent cinnamic acid (CHEBI:27386) |
| 4-(3-chlorophenyl)-2-oxo-3-(2-quinolinyl)-3-butenoic acid (CHEBI:108030) is a olefinic compound (CHEBI:78840) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19407 | LINCS |