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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:26 UTC
Update Date2025-03-25 00:46:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156772
Frequency0.5
Structure
Chemical FormulaC13H12ClNO2
Molecular Mass249.0557
SMILESO=C1CCC(Cc2c[nH]c3ccc(Cl)cc23)O1
InChI KeyGXRMUODTTNNTSC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aryl chlorides
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acid esters
  • gamma butyrolactones
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • pyrroles
  • tetrahydrofurans
    • Substituents
  • carbonyl group
  • indole
  • organochloride
  • carboxylic acid derivative
  • organohalogen compound
  • lactone
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • aryl chloride
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • gamma butyrolactone
  • aryl halide
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound