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 | COC(=O)c1ccc(O)c(C(=O)CC(C)C)c1 |
| InChI | InChI=1S/C13H16O4/c1-8(2)6-12(15)10-7-9(13(16)17-3)4-5-11(10)14/h4-5,7-8,14H,6H2,1-3H3 |
| InChIKey | SGCOSPKWMNXZNV-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Hericium erinaceus (ncbitaxon:91752) | - | PubMed (19661683) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| methyl 4-hydroxy-3-(3-methylbutanoyl)benzoate (CHEBI:225656) is a aromatic ketone (CHEBI:76224) |
| IUPAC Name |
|---|
| methyl 4-hydroxy-3-(3-methylbutanoyl)benzoate |
| Manual Xrefs | Databases |
|---|---|
| 9761484 | ChemSpider |