| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:00 UTC |
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| Update Date | 2025-03-21 18:33:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098101 |
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| Frequency | 28.1 |
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| Structure | |
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| Chemical Formula | C12H14N2O4 |
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| Molecular Mass | 250.0954 |
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| SMILES | Cc1ccccc1C(=O)NCC(=O)NCC(=O)O |
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| InChI Key | FXCXITIOKXVESK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | acyl glycines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsdipeptideshippuric acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amideso-toluamides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidbenzoylalpha peptidetoluamidebenzamideorganic oxideo-toluamideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalpha-amino acid amidehippuric acid or derivativesbenzoic acid or derivativescarboxamide groupn-acylglycinearomatic homomonocyclic compoundalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundtolueneorganooxygen compound |
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