| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:15:29 UTC |
|---|
| Update Date | 2025-03-21 18:34:06 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00099222 |
|---|
| Frequency | 27.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H18O |
|---|
| Molecular Mass | 190.1358 |
|---|
| SMILES | CC(=O)c1cc(C)cc(C(C)(C)C)c1 |
|---|
| InChI Key | ZFALTZWVWLNMBS-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 | acetophenonesaryl alkyl ketonesbenzoyl derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsphenylpropanestoluenes |
|---|
| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoylphenylpropanearomatic homomonocyclic compoundorganic oxideacetophenonehydrocarbon derivativebenzenoidtoluenealkyl-phenylketone |
|---|
