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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:17:37 UTC
Update Date2025-03-25 01:00:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02241510
Frequency0.5
Structure
Chemical FormulaC12H14N2O2
Molecular Mass218.1055
SMILESCC(O)C(=O)C1=Nc2ccccc2N(C)C1
InChI KeyNKPQXWDLSXLFAU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazanaphthalenes
Subclass benzodiazines
Direct Parent quinoxalines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acyloins
  • azacyclic compounds
  • benzenoids
  • beta-amino ketones
  • dialkylarylamines
  • diazanaphthalenes
  • hydrocarbon derivatives
  • ketimines
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
    • Substituents
  • ketimine
  • carbonyl group
  • imine
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • organic oxide
  • aromatic heteropolycyclic compound
  • tertiary aliphatic/aromatic amine
  • organonitrogen compound
  • organopnictogen compound
  • beta-aminoketone
  • dialkylarylamine
  • tertiary amine
  • alcohol
  • quinoxaline
  • azacycle
  • organic 1,3-dipolar compound
  • organic oxygen compound
  • acyloin
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound