| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:04:21 UTC |
|---|
| Update Date | 2025-03-25 00:55:15 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02211379 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H16N2O8 |
|---|
| Molecular Mass | 352.0907 |
|---|
| SMILES | CC(=O)Nc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)c(C(=O)O)c1 |
|---|
| InChI Key | REJVIXPGQCMTJO-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 | glutamic acid and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compoundsacetamidesacetanilidesacylaminobenzoic acid and derivativesalpha amino acidsbenzoic acidsbenzoyl derivativescarbonyl compoundshippuric acids and derivativeshydrocarbon derivativesn-acetylarylaminesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidestricarboxylic acids and derivatives |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidn-acetylarylaminebenzoyln-arylamidetricarboxylic acid or derivativesbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidacetamiden-acyl-alpha amino acid or derivativesacylaminobenzoic acid or derivativesn-acyl-alpha-amino acidacetanilidehippuric acid or derivativesbenzoic acid or derivativesglutamic acid or derivativescarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
