| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:24:40 UTC |
|---|
| Update Date | 2025-03-21 18:38:35 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00121588 |
|---|
| Frequency | 21.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H20O2 |
|---|
| Molecular Mass | 220.1463 |
|---|
| SMILES | CC(C)C(=O)c1ccc(CC(C)(C)O)cc1 |
|---|
| InChI Key | FDKJUXKCVVKHBQ-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 oxidesphenylpropanestertiary alcohols |
|---|
| Substituents | alcoholmonocyclic benzene moietyaryl alkyl ketonebenzoylphenylpropanearomatic homomonocyclic compoundtertiary alcoholorganic oxidehydrocarbon derivativebenzenoidalkyl-phenylketone |
|---|
