| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:29 UTC |
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| Update Date | 2025-03-25 00:50:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184114 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H19N3O3 |
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| Molecular Mass | 301.1426 |
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| SMILES | NC(CCCCNC(=O)c1ccc2ccccc2n1)C(=O)O |
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| InChI Key | XCCWMBLQDNRHET-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | quinolines and derivatives |
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| Subclass | quinoline carboxamides |
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| Direct Parent | quinoline carboxamides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridines2-heteroaryl carboxamidesalpha amino acidsamino fatty acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxypyridinesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridinecarboxylic acids and derivativessecondary carboxylic acid amides |
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| Substituents | pyridine carboxylic acid or derivativesfatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidpolyhalopyridinefatty acidalpha-amino acid or derivativescarboxylic acid derivative2-heteroaryl carboxamideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acid2-halopyridineazacycleheteroaromatic compoundhydroxypyridinecarboxamide groupamino fatty acidsecondary carboxylic acid amidemonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundquinoline-2-carboxamideorganooxygen compound |
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