| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:50:16 UTC |
|---|
| Update Date | 2025-03-21 18:02:37 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00039150 |
|---|
| Frequency | 89.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H18O |
|---|
| Molecular Mass | 190.1358 |
|---|
| SMILES | CC(C)C(=O)c1cccc(C(C)C)c1 |
|---|
| InChI Key | KQIDRBSPJYNMFA-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 derivativescumeneshydrocarbon derivativesorganic oxidesorganooxygen compoundsphenylpropanes |
|---|
| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoylphenylpropanearomatic homomonocyclic compoundorganic oxidecumenehydrocarbon derivativebenzenoidalkyl-phenylketone |
|---|
