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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:23:40 UTC
Update Date2025-03-21 18:38:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00119245
Frequency21.9
Structure
Chemical FormulaC18H20FN3O4
Molecular Mass361.1438
SMILESCC1COc2cc(F)c(N3CCN(C)CC3)c3c(=O)c(C(=O)O)cn1c23
InChI KeyGNRWUDHMQWLZHT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass quinoline carboxylic acids
Direct Parent quinoline carboxylic acids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • alkyl aryl ethers
  • amino acids
  • aminoquinolines and derivatives
  • aryl fluorides
  • azacyclic compounds
  • benzenoids
  • benzoxazines
  • carboxylic acids
  • dialkylarylamines
  • fluoroquinolones
  • haloquinolines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroquinolines
  • hydroquinolones
  • hydroxypyridines
  • methylpyridines
  • monocarboxylic acids and derivatives
  • n-arylpiperazines
  • n-methylpiperazines
  • organic oxides
  • organofluorides
  • organopnictogen compounds
  • oxacyclic compounds
  • polyhalopyridines
  • pyridine-3-carboxylic acids
  • trialkylamines
  • vinylogous amides
    • Substituents
  • pyridine carboxylic acid or derivatives
  • carboxylic acid
  • amino acid or derivatives
  • pyridine-3-carboxylic acid
  • quinoline-3-carboxylic acid
  • haloquinoline
  • organonitrogen compound
  • fluoroquinolone
  • vinylogous amide
  • azacycle
  • n-alkylpiperazine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • dihydroquinoline
  • aryl halide
  • dihydroquinolone
  • pyridine
  • pyridine carboxylic acid
  • hydrocarbon derivative
  • amine
  • aryl fluoride
  • ether
  • amino acid
  • polyhalopyridine
  • alkyl aryl ether
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • piperazine
  • aromatic heteropolycyclic compound
  • tertiary aliphatic/aromatic amine
  • organopnictogen compound
  • 2-halopyridine
  • dialkylarylamine
  • tertiary amine
  • organofluoride
  • hydroxypyridine
  • n-methylpiperazine
  • benzoxazine
  • methylpyridine
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • 1,4-diazinane
  • aminoquinoline
  • benzenoid
  • organic nitrogen compound
  • n-arylpiperazine
  • organooxygen compound