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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:22 UTC
Update Date2025-03-25 01:01:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250243
Frequency0.5
Structure
Chemical FormulaC12H11NO4
Molecular Mass233.0688
SMILESO=C(OCN1C(=O)CCC1=O)c1ccccc1
InChI KeyOBRBWFHBXNPXPZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoic acids and derivatives
Direct Parent benzoic acid esters
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzoyl derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • dicarboximides
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-alkylpyrrolidines
  • n-substituted carboxylic acid imides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolidine-2-ones
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • aromatic heteromonocyclic compound
  • benzoyl
  • benzoate ester
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • dicarboximide
  • pyrrolidine
  • carboxylic acid imide, n-substituted
  • pyrrolidone
  • organoheterocyclic compound
  • azacycle
  • n-alkylpyrrolidine
  • carboxylic acid imide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound