| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:19:13 UTC |
|---|
| Update Date | 2025-03-21 18:36:01 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00108462 |
|---|
| Frequency | 24.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H9NO4 |
|---|
| Molecular Mass | 195.0532 |
|---|
| SMILES | O=C(O)CNc1cccc(C(=O)O)c1 |
|---|
| InChI Key | CDKGPKBKGCBTDO-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 | amino acidsbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenylalkylaminessecondary alkylarylamines |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidbenzoylorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundbenzoic acidbenzoic acid or derivativessecondary aminesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundorganic oxygen compounddicarboxylic acid or derivativesphenylalkylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
|---|
