EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H20N2O4 |
| Net Charge | 0 |
| Average Mass | 352.390 |
| Monoisotopic Mass | 352.14231 |
| SMILES | COc1ccc(CCNc2c(C=O)c(=O)nc3ccccc23)cc1OC |
| InChI | InChI=1S/C20H20N2O4/c1-25-17-8-7-13(11-18(17)26-2)9-10-21-19-14-5-3-4-6-16(14)22-20(24)15(19)12-23/h3-8,11-12H,9-10H2,1-2H3,(H2,21,22,24) |
| InChIKey | RRUNZPUDYVIFGJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-1H-quinoline-3-carboxaldehyde (CHEBI:109659) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-21087 | LINCS |