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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:49:48 UTC
Update Date2025-03-25 00:28:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02037989
Frequency0.6
Structure
Chemical FormulaC9H7NO
Molecular Mass145.0528
SMILESO=CC1=Nc2ccccc2C1
InChI KeyQNHDKWJSRNIEEW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indolecarboxylic acids and derivatives
Direct Parent indolecarboxylic acids and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aldehydes
  • azacyclic compounds
  • benzenoids
  • hydrocarbon derivatives
  • indoles
  • ketimines
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • indolecarboxylic acid derivative
  • ketimine
  • carbonyl group
  • azacycle
  • indole
  • imine
  • aldehyde
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound