EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H16N2O2 |
| Net Charge | 0 |
| Average Mass | 244.294 |
| Monoisotopic Mass | 244.12118 |
| SMILES | CC1(C)CC(=O)C(C=Nc2cccnc2)C(=O)C1 |
| InChI | InChI=1S/C14H16N2O2/c1-14(2)6-12(17)11(13(18)7-14)9-16-10-4-3-5-15-8-10/h3-5,8-9,11H,6-7H2,1-2H3 |
| InChIKey | VNMDASQUVHLDRG-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-26950 (CHEBI:115493) is a β-diketone (CHEBI:67265) |
| Manual Xrefs | Databases |
|---|---|
| LSM-26950 | LINCS |