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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:41 UTC
Update Date2025-03-21 18:39:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00123894
Frequency20.8
Structure
Chemical FormulaC16H20N2O4
Molecular Mass304.1423
SMILESCC(C)NCC(O)COc1cccc2ccc(C(=O)O)nc12
InChI KeyXBHGRKDBKIROQI-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
  • azacyclic compounds
  • carboxylic acids
  • dialkylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methylpyridines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • phenol ethers
  • polyhalopyridines
  • pyridine-2-carboxylic acids
  • secondary alcohols
    • Substituents
  • pyridine carboxylic acid or derivatives
  • phenol ether
  • ether
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • polyhalopyridine
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • pyridine-2-carboxylic acid
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • alcohol
  • secondary aliphatic amine
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • methylpyridine
  • secondary amine
  • monocarboxylic acid or derivatives
  • pyridine
  • organic oxygen compound
  • pyridine carboxylic acid
  • secondary alcohol
  • quinoline-2-carboxylic acid
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • amine