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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:42:55 UTC
Update Date2025-03-21 18:49:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00164352
Frequency14.4
Structure
Chemical FormulaC8H7NO
Molecular Mass133.0528
SMILESOC1C=Nc2ccccc21
InChI KeyDYWTWVAEHHTBLJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • hydrocarbon derivatives
  • imines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • azacycle
  • indole
  • imine
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound