| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:44:41 UTC |
|---|
| Update Date | 2025-03-21 18:00:13 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00025913 |
|---|
| Frequency | 148.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H13NO4 |
|---|
| Molecular Mass | 223.0845 |
|---|
| SMILES | CC(=O)NC(C(=O)O)C(O)c1ccccc1 |
|---|
| InChI Key | KRRUQBRDTUOUGS-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 | phenylalanine and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | acetamidesalpha amino acidsaromatic alcoholsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidssecondary alcoholssecondary carboxylic acid amides |
|---|
| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidbeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamiden-acyl-alpha amino acid or derivativesalcoholn-acyl-alpha-amino acidhydroxy acidcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
