EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H16O4 |
| Net Charge | 0 |
| Average Mass | 248.278 |
| Monoisotopic Mass | 248.10486 |
| SMILES | C=C1C=C(CCC(=O)O)C(=O)O[C@H]1/C=C/C=C/C |
| InChI | InChI=1S/C14H16O4/c1-3-4-5-6-12-10(2)9-11(14(17)18-12)7-8-13(15)16/h3-6,9,12H,2,7-8H2,1H3,(H,15,16)/b4-3+,6-5+/t12-/m0/s1 |
| InChIKey | XMBYWWHLSMXSPA-KVOZUEDISA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Westerdykella (ncbitaxon:45153) | - | DOI (10.1016/s0040-4039(99)01367-2) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Dykellic acid (CHEBI:200563) is a pyranone (CHEBI:37963) |
| IUPAC Name |
|---|
| 3-[5-methylidene-2-oxo-6-[(1E,3E)-penta-1,3-dienyl]pyran-3-yl]propanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 4910862 | ChemSpider |