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 | CCCCc1c(OC)cc(=O)oc1C |
| InChI | InChI=1S/C11H16O3/c1-4-5-6-9-8(2)14-11(12)7-10(9)13-3/h7H,4-6H2,1-3H3 |
| InChIKey | IBFIZVORYAZWLY-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Alternaria phragmospora (ncbitaxon:570713) | - | PubMed (27708462) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-butyl-4-methoxy-6-methyl-2H-pyran-2-one (CHEBI:197855) is a pyranone (CHEBI:37963) |
| IUPAC Name |
|---|
| 5-butyl-4-methoxy-6-methylpyran-2-one |
| Manual Xrefs | Databases |
|---|---|
| 67893416 | ChemSpider |