| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:56 UTC |
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| Update Date | 2025-03-21 18:37:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00115039 |
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| Frequency | 22.9 |
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| Structure | |
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| Chemical Formula | C17H15N3O3 |
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| Molecular Mass | 309.1113 |
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| SMILES | O=C(NC(Cc1c[nH]c2ccccc12)C(=O)O)c1ccccn1 |
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| InChI Key | LNBDBHNCOGDSOW-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridines2-heteroaryl carboxamidesalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesindolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyridinecarboxylic acids and derivativespyrrolessecondary carboxylic acid amides |
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| Substituents | pyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidindole2-heteroaryl carboxamideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundazacyclen-acyl-alpha-amino acidheteroaromatic compoundhydroxypyridineindole or derivativescarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativespyridineorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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