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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:44 UTC
Update Date2025-03-25 00:54:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02209885
Frequency0.5
Structure
Chemical FormulaC11H11NO3
Molecular Mass205.0739
SMILESCC(O)CN1C(=O)c2ccccc2C1=O
InChI KeyXCQKPHDATCXMAA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classisoindoles and derivatives
Subclass isoindolines
Direct Parent phthalimides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • isoindoles
  • n-substituted carboxylic acid imides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • azacycle
  • isoindole
  • carboxylic acid derivative
  • phthalimide
  • carboxylic acid imide
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • carboxylic acid imide, n-substituted
  • organooxygen compound