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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:45 UTC
Update Date2025-03-25 00:59:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02237277
Frequency0.5
Structure
Chemical FormulaC16H14N2O3
Molecular Mass282.1004
SMILESO=C(O)c1cccc2c(NCCO)c3ccccc3nc12
InChI KeyVGYIPWJYRYPBEZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass benzoquinolines
Direct Parent acridines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • 2-halopyridines
  • alcohols and polyols
  • alkanolamines
  • amino acids
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • polyhalopyridines
  • quinoline carboxylic acids
  • secondary alkylarylamines
    • Substituents
  • acridine
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • polyhalopyridine
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 1-carboxy-2-haloaromatic compound
  • 2-halopyridine
  • alkanolamine
  • alcohol
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • secondary amine
  • secondary aliphatic/aromatic amine
  • monocarboxylic acid or derivatives
  • pyridine
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • quinoline-8-carboxylic acid
  • amine
  • organooxygen compound