| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:24:45 UTC |
|---|
| Update Date | 2025-03-21 18:38:37 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00121774 |
|---|
| Frequency | 21.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H12O2 |
|---|
| Molecular Mass | 164.0837 |
|---|
| SMILES | COc1cccc(C)c1C(C)=O |
|---|
| InChI Key | WCOFWOOVCLIIFJ-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 | acetophenonesalkyl aryl ethersanisolesaryl alkyl ketonesbenzoyl derivativeshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compoundstoluenes |
|---|
| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketonebenzoylalkyl aryl ethermethoxybenzenearomatic homomonocyclic compoundorganic oxideanisoleacetophenonehydrocarbon derivativebenzenoidphenoxy compoundtoluenealkyl-phenylketone |
|---|
