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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:49 UTC
Update Date2025-03-25 00:51:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02187228
Frequency0.5
Structure
Chemical FormulaC11H9NO4
Molecular Mass219.0532
SMILESCC(=O)OC1C(=O)NC(=O)c2ccccc21
InChI KeyKTUFADUJOZMTPL-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
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acid esters
  • dicarboximides
  • hydrocarbon derivatives
  • isoquinolones and derivatives
  • monocarboxylic acids 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
  • carboxylic acid imide, n-unsubstituted
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • carboxylic acid ester
  • organonitrogen compound
  • tetrahydroisoquinoline
  • organopnictogen compound
  • isoquinolone
  • hydrocarbon derivative
  • benzenoid
  • dicarboximide
  • organic nitrogen compound
  • organooxygen compound