| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:21:46 UTC |
|---|
| Update Date | 2025-03-21 18:37:12 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00114620 |
|---|
| Frequency | 23.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H10N2O4 |
|---|
| Molecular Mass | 210.0641 |
|---|
| SMILES | Nc1cccc(O)c1C(=O)NCC(=O)O |
|---|
| InChI Key | KNMWSCKAJPGIAM-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 acidsamino acidsbenzoyl derivativescarbonyl compoundscarboxylic acidshippuric acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminessalicylamidessecondary carboxylic acid amidesvinylogous acidsvinylogous amides |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidbenzoyl1-hydroxy-2-unsubstituted benzenoidbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundvinylogous amidehippuric acid or derivativesbenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidcarboxamide groupn-acylglycinesalicylamidearomatic homomonocyclic compoundsecondary carboxylic acid amidevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesphenolhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
|---|
