| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:06 UTC |
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| Update Date | 2025-03-25 00:49:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176450 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O6 |
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| Molecular Mass | 296.1008 |
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| SMILES | CC(=O)NC(CCONc1ccc(C(=O)O)cc1)C(=O)O |
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| InChI Key | RZFRTHUALDKSMZ-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxylamino, 2-unsubstituted benzenoidsacetamidesalpha amino acidsbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesn-organohydroxylaminesn-phenylhydroxylaminesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidbenzoylorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1-hydroxylamino, 2-unsubstituted benzenoidbenzoic acidacetamiden-acyl-alpha-amino acidbenzoic acid or derivativescarboxamide groupn-organohydroxylaminearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundn-phenylhydroxylaminedicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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