EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:36812 - valerophenone
| Formula | C11H14O |
| Net Charge | 0 |
| Average Mass | 162.232 |
| Monoisotopic Mass | 162.10447 |
| SMILES | CCCCC(=O)c1ccccc1 |
| InChI | InChI=1S/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3 |
| InChIKey | XKGLSKVNOSHTAD-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Biological Roles: | volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| valerophenone (CHEBI:36812) has role plant metabolite (CHEBI:76924) |
| valerophenone (CHEBI:36812) has role volatile oil component (CHEBI:27311) |
| valerophenone (CHEBI:36812) is a aromatic ketone (CHEBI:76224) |
| Incoming Relation(s) |
| 5-methoxyvalerophenone (CHEBI:36814) has functional parent valerophenone (CHEBI:36812) |
| IUPAC Name |
|---|
| 1-phenylpentan-1-one |
| Synonyms | Source |
|---|---|
| valerophenone | ChemIDplus |
| 1-phenyl-1-pentanone | ChemIDplus |
| pentanophenone | NIST Chemistry WebBook |
| butyl phenyl ketone | NIST Chemistry WebBook |
| Manual Xrefs | Databases |
|---|---|
| HMDB0031208 | HMDB |
| Valerophenone | Wikipedia |
| Citations |
|---|