EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H16O4 |
| Net Charge | 0 |
| Average Mass | 236.267 |
| Monoisotopic Mass | 236.10486 |
| SMILES | CCCCCC(=O)C(=O)c1ccc(O)cc1O |
| InChI | InChI=1S/C13H16O4/c1-2-3-4-5-11(15)13(17)10-7-6-9(14)8-12(10)16/h6-8,14,16H,2-5H2,1H3 |
| InChIKey | XPGRGRKFZXQRJZ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(2,4-dihydroxyphenyl)heptane-1,2-dione (CHEBI:121977) is a butanone (CHEBI:22951) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33420 | LINCS |