| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:19:22 UTC |
|---|
| Update Date | 2025-03-21 18:36:05 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00108802 |
|---|
| Frequency | 24.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H13NO2 |
|---|
| Molecular Mass | 179.0946 |
|---|
| SMILES | CC(C)(C(=O)O)c1ccc(N)cc1 |
|---|
| InChI Key | NYMSWDCXXWVJRI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenylpropanes |
|---|
| Direct Parent | phenylpropanes |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary amines |
|---|
| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidcarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
|---|
