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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:01 UTC
Update Date2025-03-25 00:50:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178590
Frequency0.5
Structure
Chemical FormulaC9H9NO2
Molecular Mass163.0633
SMILESCOC1Nc2ccccc2C1=O
InChI KeyDVSNUYWDVUYTEK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aryl alkyl ketones
  • azacyclic compounds
  • benzenoids
  • hydrocarbon derivatives
  • indolines
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • secondary alkylarylamines
  • vinylogous amides
    • Substituents
  • vinylogous amide
  • aryl alkyl ketone
  • azacycle
  • indole
  • secondary amine
  • secondary aliphatic/aromatic amine
  • ketone
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • dihydroindole
  • organooxygen compound
  • amine
  • aryl ketone