| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:20 UTC |
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| Update Date | 2025-03-21 18:06:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00060612 |
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| Frequency | 51.6 |
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| Structure | |
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| Chemical Formula | C14H17N3O3 |
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| Molecular Mass | 275.127 |
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| SMILES | CNCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | XUDHYDFBIPMBJZ-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 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 compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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