| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:01 UTC |
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| Update Date | 2025-03-21 17:58:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00015453 |
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| Frequency | 281.4 |
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| Structure | |
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| Chemical Formula | C17H21N3O3 |
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| Molecular Mass | 315.1583 |
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| SMILES | O=C(O)C(Cc1c[nH]c2ccccc12)NC(=O)C1CCCCN1 |
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| InChI Key | BZROSTXGSIKDJL-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 compoundspiperidinecarboxamidespiperidinespyrrolessecondary 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 compoundpiperidineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativessecondary aliphatic aminealpha-amino acid amideazacyclen-acyl-alpha-amino acidpiperidinecarboxamideheteroaromatic compoundindole or derivativessecondary aminecarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compound2-piperidinecarboxamideorganooxygen compoundamine |
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