| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:13:47 UTC |
|---|
| Update Date | 2025-03-21 18:33:17 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00095082 |
|---|
| Frequency | 29.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H18O2 |
|---|
| Molecular Mass | 206.1307 |
|---|
| SMILES | CC(=O)c1cc(C)c(O)c(C(C)(C)C)c1 |
|---|
| InChI Key | UPFKFIIOOUZJSH-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 compoundsortho cresolsphenolsphenylpropanestoluenes |
|---|
| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoylphenylpropanearomatic homomonocyclic compoundorganic oxideo-cresolacetophenonephenolhydrocarbon derivativebenzenoidtoluenealkyl-phenylketone |
|---|
