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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:57 UTC
Update Date2025-03-25 01:01:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02251571
Frequency0.5
Structure
Chemical FormulaC10H8ClNO2
Molecular Mass209.0244
SMILESO=CCc1c[nH]c2cc(O)c(Cl)cc12
InChI KeyRTDPUVDVBJMFEG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alpha-hydrogen aldehydes
  • aryl chlorides
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
    • Substituents
  • aryl chloride
  • carbonyl group
  • azacycle
  • indole
  • organochloride
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • aldehyde
  • organohalogen compound
  • aryl halide
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • alpha-hydrogen aldehyde
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound