| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:18 UTC |
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| Update Date | 2025-03-25 00:55:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02211263 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14N2O4 |
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| Molecular Mass | 262.0954 |
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| SMILES | CC(=O)NC1Cc2ccccc2N(CC(=O)O)C1=O |
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| InChI Key | XOWKXIUZVGRMRI-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 | dipeptides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroquinolineshydroquinoloneslactamsmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidestertiary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acidalpha-amino acid or derivativesorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundtetrahydroquinolineorganoheterocyclic compoundacetamiden-acyl-alpha amino acid or derivativesquinolonetetrahydroquinoloneazacyclen-acyl-alpha-amino acidcarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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