| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:12:56 UTC |
|---|
| Update Date | 2025-03-21 18:32:52 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00093065 |
|---|
| Frequency | 30.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H13NO2 |
|---|
| Molecular Mass | 191.0946 |
|---|
| SMILES | CCC(=NCC(=O)O)c1ccccc1 |
|---|
| InChI Key | NHCXZYVSASBNLW-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | alpha amino acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylpropanespropargyl-type 1,3-dipolar organic compoundssecondary ketimines |
|---|
| Substituents | ketiminemonocyclic benzene moietycarbonyl groupcarboxylic acidimineorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundphenylpropanearomatic homomonocyclic compoundsecondary ketimineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
