| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:24:46 UTC |
|---|
| Update Date | 2025-03-21 18:38:37 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00121831 |
|---|
| Frequency | 21.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H18O |
|---|
| Molecular Mass | 190.1358 |
|---|
| SMILES | CCC(=O)c1ccc(C(C)(C)C)cc1 |
|---|
| InChI Key | AQNYEAINONORRY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | alkyl-phenylketones |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | aryl alkyl ketonesbenzoyl derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsphenylpropanes |
|---|
| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoylphenylpropanearomatic homomonocyclic compoundorganic oxidehydrocarbon derivativebenzenoidalkyl-phenylketone |
|---|
