| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:11:49 UTC |
|---|
| Update Date | 2025-03-21 18:32:20 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00090314 |
|---|
| Frequency | 31.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H15NO4 |
|---|
| Molecular Mass | 237.1001 |
|---|
| SMILES | Cc1cccc(O)c1CCC(O)=NCC(=O)O |
|---|
| InChI Key | ZPXXBDONHCFKCT-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidscarbonyl compoundscarboximidic acidscarboxylic acidshydrocarbon derivativesmeta cresolsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundstoluenes |
|---|
| Substituents | carboximidic acidmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundm-cresolorganic 1,3-dipolar compound1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundtolueneorganooxygen compound |
|---|
