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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:49 UTC
Update Date2025-03-25 00:47:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02164292
Frequency0.5
Structure
Chemical FormulaC13H17NO3
Molecular Mass235.1208
SMILESCC(O)C(O)C(=O)N1CCCc2ccccc21
InChI KeyKSMUNPSYRRRGQX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass hydroquinolines
Direct Parent hydroquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • tertiary carboxylic acid amides
    • Substituents
  • alcohol
  • carbonyl group
  • azacycle
  • monosaccharide
  • carboxamide group
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • tetrahydroquinoline
  • organooxygen compound
  • 1,2-diol