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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:45 UTC
Update Date2025-03-25 00:48:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166498
Frequency0.5
Structure
Chemical FormulaC10H9NO3
Molecular Mass191.0582
SMILESCC(=O)Nc1cccc2c1OCC2=O
InChI KeyVEEFELIWXOMTDM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzofurans
Subclass benzofuranones
Direct Parent benzofuranones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetamides
  • alkyl aryl ethers
  • aryl alkyl ketones
  • benzenoids
  • carboxylic acids and derivatives
  • coumarans
  • hydrocarbon derivatives
  • n-acetylarylamines
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • ether
  • aryl alkyl ketone
  • benzofuranone
  • n-acetylarylamine
  • n-arylamide
  • alkyl aryl ether
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • coumaran
  • acetamide
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • aryl ketone