| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:13:14 UTC |
|---|
| Update Date | 2025-03-21 18:33:00 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00093805 |
|---|
| Frequency | 29.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H13NO2 |
|---|
| Molecular Mass | 179.0946 |
|---|
| SMILES | CNCC(=O)c1ccc(OC)cc1 |
|---|
| InChI Key | FLKXXDJABJNVBV-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 derivativesdialkylamineshydrocarbon derivativesmethoxybenzenesorganic oxidesorganopnictogen compoundsphenoxy compounds |
|---|
| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketonebenzoylalkyl aryl etherorganic oxideorganonitrogen compoundorganopnictogen compoundsecondary aliphatic aminesecondary aminemethoxybenzenearomatic homomonocyclic compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundalkyl-phenylketoneamine |
|---|
