| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:20:14 UTC |
|---|
| Update Date | 2025-03-21 18:36:29 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00110924 |
|---|
| Frequency | 24.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H12N2O5 |
|---|
| Molecular Mass | 252.0746 |
|---|
| SMILES | O=C(O)CNC(=O)CNC(=O)c1cccc(O)c1 |
|---|
| InChI Key | VXHUBGBAWCMNPC-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 | acyl glycines |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha amino acid amidesalpha amino acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsdipeptideshippuric acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidalpha peptidebenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalpha-amino acid amidehippuric acid or derivativesbenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidcarboxamide groupn-acylglycinearomatic homomonocyclic compoundalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
