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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:10:38 UTC
Update Date2025-03-21 18:31:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00087568
Frequency32.5
Structure
Chemical FormulaC13H13NO6
Molecular Mass279.0743
SMILESO=C1c2ccccc2C(=O)N1C1OC(CO)C(O)C1O
InChI KeyMMEQQMIDHPNNDS-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
  • monosaccharides
  • n-substituted carboxylic acid imides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • monosaccharide
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • primary alcohol
  • carboxylic acid imide, n-substituted
  • alcohol
  • azacycle
  • tetrahydrofuran
  • isoindole
  • phthalimide
  • carboxylic acid imide
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound