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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:46 UTC
Update Date2025-03-25 00:48:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166528
Frequency0.5
Structure
Chemical FormulaC12H14N2O2
Molecular Mass218.1055
SMILESCC(=O)Nc1ccc2c(CCO)c[nH]c2c1
InChI KeyKCAPBXUSDOIAGZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetamides
  • alcohols and polyols
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • n-acetylarylamines
  • organic oxides
  • organopnictogen compounds
  • pyrroles
  • secondary carboxylic acid amides
    • Substituents
  • alcohol
  • carbonyl group
  • n-acetylarylamine
  • azacycle
  • indole
  • heteroaromatic compound
  • n-arylamide
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • acetamide
  • organooxygen compound