| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:07 UTC |
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| Update Date | 2025-03-21 18:05:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00055323 |
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| Frequency | 57.9 |
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| Structure | |
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| Chemical Formula | C15H19N3O3 |
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| Molecular Mass | 289.1426 |
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| SMILES | CNC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | PDZOVXQDJBFECG-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 | alanine and derivativesalpha amino acid amidesalpha amino acidsamino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidindolealpha-amino acid or derivativesorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativessecondary aliphatic aminealpha-amino acid amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativessecondary aminecarboxamide groupn-substituted-alpha-amino acidalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolealanine or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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