EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C11H16O3 |
| Net Charge | 0 |
| Average Mass | 196.246 |
| Monoisotopic Mass | 196.10994 |
| SMILES | CCCC1=C[C@@H](CC(=O)CC)OC1=O |
| InChI | InChI=1S/C11H16O3/c1-3-5-8-6-10(14-11(8)13)7-9(12)4-2/h6,10H,3-5,7H2,1-2H3/t10-/m0/s1 |
| InChIKey | QTIQVWDNPDEMAS-JTQLQIEISA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Pregaliellalactone F (CHEBI:214555) is a butenolide (CHEBI:50523) |
| IUPAC Name |
|---|
| (2R)-2-(2-oxobutyl)-4-propyl-2H-uran-5-one |
| Manual Xrefs | Databases |
|---|---|
| 78442318 | ChemSpider |