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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:47:07 UTC
Update Date2025-03-21 18:01:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00031641
Frequency122.4
Structure
Chemical FormulaC9H5NO3
Molecular Mass175.0269
SMILESO=C1NC(=O)c2ccccc2C1=O
InChI KeyYIOFGHHAURBGSJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classisoquinolines and derivatives
Subclass 1,3-isoquinolinediones
Direct Parent 1,3-isoquinolinediones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,4-isoquinolinediones
  • aryl ketones
  • azacyclic compounds
  • benzenoids
  • carboxylic acids and derivatives
  • dicarboximides
  • hydrocarbon derivatives
  • isoquinolones and derivatives
  • n-unsubstituted carboxylic acid imides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • tetrahydroisoquinolines
    • Substituents
  • carbonyl group
  • azacycle
  • carboxylic acid derivative
  • 1,3-isoquinolinedione
  • carboxylic acid imide
  • ketone
  • carboxylic acid imide, n-unsubstituted
  • organic oxide
  • 2,3-dihydroisoquinoline-1,4-dione
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • tetrahydroisoquinoline
  • organopnictogen compound
  • isoquinolone
  • hydrocarbon derivative
  • benzenoid
  • dicarboximide
  • organic nitrogen compound
  • organooxygen compound
  • aryl ketone