| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:15 UTC |
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| Update Date | 2025-03-25 00:53:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199524 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16N2O6 |
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| Molecular Mass | 308.1008 |
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| SMILES | Cc1ccccc1C(=O)NC(CC(=O)O)C(=O)NCC(=O)O |
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| InChI Key | FYCSTYXVCDIYGU-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 acidsaspartic acid and derivativesbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesdipeptideshippuric acids and derivativeshydrocarbon derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amideso-toluamides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidfatty amidebenzoylalpha peptidetoluamidebenzamideorganic oxideo-toluamideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalpha-amino acid amidehippuric acid or derivativesbenzoic acid or derivativescarboxamide groupn-acyl-aminen-acylglycinearomatic homomonocyclic compoundalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundtolueneorganooxygen compound |
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