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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:18 UTC
Update Date2025-03-25 00:54:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02208815
Frequency0.5
Structure
Chemical FormulaC12H13NO2
Molecular Mass203.0946
SMILESCC(C)C(O)C1=Nc2ccccc2C1=O
InChI KeyWEYYYOWFBRAJPU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aryl ketones
  • azacyclic compounds
  • benzenoids
  • hydrocarbon derivatives
  • ketimines
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • ketimine
  • azacycle
  • imine
  • indole
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • aryl ketone