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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:55:13 UTC
Update Date2025-03-25 00:51:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02190389
Frequency0.5
Structure
Chemical FormulaC12H13NO2
Molecular Mass203.0946
SMILESCC(=O)C1c2ccccc2CN1C(C)=O
InChI KeyBNKQWQGZZZAGMC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classisoindoles and derivatives
Subclass isoindoles
Direct Parent isoindoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetamides
  • azacyclic compounds
  • benzenoids
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • isoindolines
  • ketones
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • tertiary carboxylic acid amides
    • Substituents
  • carbonyl group
  • azacycle
  • isoindole
  • carboxamide group
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • organic oxygen compound
  • isoindoline
  • aromatic heteropolycyclic compound
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • acetamide
  • organooxygen compound