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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:17:17 UTC
Update Date2025-03-25 01:00:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02240778
Frequency0.5
Structure
Chemical FormulaC12H13NO2
Molecular Mass203.0946
SMILESCC(=O)OCc1cn(C)c2ccccc12
InChI KeyDZCMOLBWMVBMMI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass n-alkylindoles
Direct Parent n-alkylindoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acid esters
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • indoles
  • monocarboxylic acids and derivatives
  • n-methylpyrroles
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • substituted pyrroles
    • Substituents
  • carbonyl group
  • n-methylpyrrole
  • n-alkylindole
  • azacycle
  • indole
  • heteroaromatic compound
  • substituted pyrrole
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • carboxylic acid ester
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound