| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:12 UTC |
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| Update Date | 2025-03-21 18:35:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00105935 |
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| Frequency | 32.8 |
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| Structure | |
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| Chemical Formula | C17H19N3O4 |
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| Molecular Mass | 329.1376 |
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| SMILES | O=C1CCCC(C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)N1 |
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| InChI Key | XSHKCMGERMYYRI-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 | alpha amino acid amidesalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdelta lactamsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspiperidinecarboxamidespiperidinonespyrrolessecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acidindolealpha-amino acid or derivativesorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpiperidinonepiperidineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amideazacyclen-acyl-alpha-amino acidpiperidinecarboxamideheteroaromatic compoundindole or derivativescarboxamide groupdelta-lactamalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compound2-piperidinecarboxamideorganooxygen compound |
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