| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:30:47 UTC |
|---|
| Update Date | 2025-03-21 18:41:44 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00135852 |
|---|
| Frequency | 18.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H18O2 |
|---|
| Molecular Mass | 206.1307 |
|---|
| SMILES | CCC(=O)c1ccc(CC(C)(C)O)cc1 |
|---|
| InChI Key | NWOPZMRXMBZHCX-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 |
|---|
