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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:27 UTC
Update Date2025-03-25 01:01:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250436
Frequency0.5
Structure
Chemical FormulaC8H11NO3
Molecular Mass169.0739
SMILESO=C1NC(=O)C2C(O)CCCC12
InChI KeyCMHRURRLOOOMQN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classisoindoles and derivatives
Subclass isoindolines
Direct Parent isoindolones
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • cyclic alcohols and derivatives
  • dicarboximides
  • hydrocarbon derivatives
  • isoindoles
  • n-unsubstituted carboxylic acid imides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolidine-2-ones
  • secondary alcohols
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • carboxylic acid derivative
  • aliphatic heteropolycyclic compound
  • isoindolone
  • carboxylic acid imide, n-unsubstituted
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • dicarboximide
  • pyrrolidine
  • pyrrolidone
  • alcohol
  • azacycle
  • isoindole
  • cyclic alcohol
  • carboxylic acid imide
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound