EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C11H12O2 |
| Net Charge | 0 |
| Average Mass | 176.215 |
| Monoisotopic Mass | 176.08373 |
| SMILES | C=C/C=C/[C@H]1C=C(/C=C/C)C(=O)O1 |
| InChI | InChI=1S/C11H12O2/c1-3-5-7-10-8-9(6-4-2)11(12)13-10/h3-8,10H,1H2,2H3/b6-4+,7-5+/t10-/m0/s1 |
| InChIKey | QGERFWROLPOCAG-RFPIMEFYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-(1,3-butadiene-1-yl)-3-(propene-1-yl)-2-(5H)-furanone (CHEBI:215317) is a butenolide (CHEBI:50523) |
| IUPAC Name |
|---|
| 2-[(1E)-buta-1,3-dienyl]-4-[(E)-prop-1-enyl]-2H-uran-5-one |
| Manual Xrefs | Databases |
|---|---|
| 78435008 | ChemSpider |