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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:34 UTC
Update Date2025-03-25 00:48:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166049
Frequency0.5
Structure
Chemical FormulaC12H13NO3
Molecular Mass219.0895
SMILESCC1NC(=O)CC1c1ccc2c(c1)OCO2
InChI KeyZUIMDRZIDCAVSJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxoles
Subclass benzodioxoles
Direct Parent benzodioxoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • pyrrolidine-2-ones
  • secondary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • azacycle
  • carboxamide group
  • carboxylic acid derivative
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • pyrrolidine
  • pyrrolidone
  • organooxygen compound
  • benzodioxole