| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:56:27 UTC |
|---|
| Update Date | 2025-03-21 18:04:57 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00053788 |
|---|
| Frequency | 79.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H11NO6 |
|---|
| Molecular Mass | 241.0586 |
|---|
| SMILES | COc1c(O)cc(C(=O)NCC(=O)O)cc1O |
|---|
| InChI Key | LBYBTICHLPCRRE-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 benzenoidsalkyl aryl ethersalpha amino acidsanisolesbenzoyl derivativescarbonyl compoundscarboxylic acidshippuric acids and derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsresorcinolssecondary carboxylic acid amides |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherbenzamideresorcinolorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhippuric acid or derivativesbenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidcarboxamide groupmethoxybenzenen-acylglycinearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
|---|
