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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:56:25 UTC
Update Date2025-03-21 18:04:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00053699
Frequency70.4
Structure
Chemical FormulaC10H11NO3
Molecular Mass193.0739
SMILESOCC(O)C1C(O)=Nc2ccccc21
InChI KeyVRARBDWOSCRGBJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent 3-alkylindoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • azacyclic compounds
  • benzenoids
  • cyclic carboximidic acids
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • primary alcohols
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • azacycle
  • 3-alkylindole
  • 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
  • primary alcohol
  • cyclic carboximidic acid
  • organooxygen compound
  • 1,2-diol