| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:41:34 UTC |
|---|
| Update Date | 2025-03-21 17:59:06 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00018801 |
|---|
| Frequency | 219.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H12N2O3 |
|---|
| Molecular Mass | 208.0848 |
|---|
| SMILES | CN(CC(=O)O)C(=O)c1ccc(N)cc1 |
|---|
| InChI Key | JFMGOHROHUXRDR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | hippuric acids and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alpha amino acidsamino acidsbenzoyl derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsprimary aminestertiary carboxylic acid amides |
|---|
| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidbenzoylalpha-amino acid or derivativescarboxylic acid derivativeorganic oxidetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidhippuric acid or derivativescarboxamide grouparomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
|---|
