| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:57:20 UTC |
|---|
| Update Date | 2025-03-25 00:52:38 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02195091 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H19NO6 |
|---|
| Molecular Mass | 309.1212 |
|---|
| SMILES | CCCOc1ccc(CC(=O)NC(CC(=O)O)C(=O)O)cc1 |
|---|
| InChI Key | QASLJJBOONJPEH-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 | aspartic acid and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersalpha amino acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylacetamidessecondary carboxylic acid amides |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalkyl aryl etherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundphenylacetamiden-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
|---|
