EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C6H8O2 |
| Net Charge | 0 |
| Average Mass | 112.128 |
| Monoisotopic Mass | 112.05243 |
| SMILES | CC1(C)C=CC(=O)O1 |
| InChI | InChI=1S/C6H8O2/c1-6(2)4-3-5(7)8-6/h3-4H,1-2H3 |
| InChIKey | YNKQMZRTPPVLLL-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5,5-Dimethyl-2(5H)-furanone (CHEBI:173379) is a butenolide (CHEBI:50523) |
| IUPAC Name |
|---|
| 5,5-dimethyluran-2-one |
| Manual Xrefs | Databases |
|---|---|
| 27792 | ChemSpider |
| HMDB0040260 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:20019-64-1 | ChemIDplus |