| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:16:10 UTC |
|---|
| Update Date | 2025-03-21 18:34:27 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00100895 |
|---|
| Frequency | 27.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H11NO2 |
|---|
| Molecular Mass | 165.079 |
|---|
| SMILES | COc1ccc(N)c(C(C)=O)c1 |
|---|
| InChI Key | PVIZPQBLTIMSRH-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 oxidesorganopnictogen compoundsphenoxy compoundsprimary aminesvinylogous amides |
|---|
| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketonebenzoylalkyl aryl etherorganic oxideorganonitrogen compoundacetophenoneorganopnictogen compoundvinylogous amidemethoxybenzenearomatic homomonocyclic compoundanisolehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundphenoxy compoundaminealkyl-phenylketone |
|---|
