EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H19NO4 |
| Net Charge | 0 |
| Average Mass | 253.298 |
| Monoisotopic Mass | 253.13141 |
| SMILES | CCC(C)C(NC(C)=O)c1cc(OC)cc(=O)o1 |
| InChI | InChI=1S/C13H19NO4/c1-5-8(2)13(14-9(3)15)11-6-10(17-4)7-12(16)18-11/h6-8,13H,5H2,1-4H3,(H,14,15) |
| InChIKey | LFXMHSJWYXKODM-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[1-(4-Methoxy-6-oxopyran-2-yl)-2-methylbutyl]acetamide (CHEBI:181031) is a pyranone (CHEBI:37963) |
| IUPAC Name |
|---|
| N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]acetamide |
| Manual Xrefs | Databases |
|---|---|
| 29814464 | ChemSpider |