| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:08:10 UTC |
|---|
| Update Date | 2025-03-25 00:56:43 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02220242 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H16O3 |
|---|
| Molecular Mass | 208.1099 |
|---|
| SMILES | COc1cccc(C(=O)C(C)C)c1OC |
|---|
| InChI Key | NJMXHJXOKSVGGO-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 | alkyl aryl ethersanisolesaryl alkyl ketonesbenzoyl derivativesdimethoxybenzeneshydrocarbon derivativesorganic oxidesphenoxy compoundsphenylpropanes |
|---|
| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketonebenzoylalkyl aryl ethermethoxybenzenephenylpropanearomatic homomonocyclic compounddimethoxybenzeneorganic oxideanisoleo-dimethoxybenzenehydrocarbon derivativebenzenoidphenoxy compoundalkyl-phenylketone |
|---|
