| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-20 23:38:41 UTC |
|---|
| Update Date | 2025-03-21 17:58:08 UTC |
|---|
| HMDB ID | HMDB0031569 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00012427 |
|---|
| Name | 4-Methyl-1-phenyl-2-pentanone |
|---|
| Frequency | 365.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H16O |
|---|
| Molecular Mass | 176.1201 |
|---|
| SMILES | CC(C)CC(=O)Cc1ccccc1 |
|---|
| InChI Key | DTYGTEGDVPAKDA-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzene and substituted derivatives |
|---|
| Direct Parent | benzene and substituted derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesketonesorganic oxides |
|---|
| Substituents | ketonearomatic homomonocyclic compoundmonocyclic benzene moietycarbonyl grouporganic oxideorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
|---|
