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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:04:37 UTC
Update Date2025-03-21 18:28:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00073242
Frequency40.7
Structure
Chemical FormulaC10H12ClNO
Molecular Mass197.0607
SMILESCC1NCCc2cc(O)c(Cl)cc21
InChI KeyKNJGLNCUKKYSEE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrahydroisoquinolines
Subclass tetrahydroisoquinolines
Direct Parent tetrahydroisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aryl chlorides
  • azacyclic compounds
  • benzenoids
  • dialkylamines
  • hydrocarbon derivatives
  • organochlorides
  • organooxygen compounds
  • organopnictogen compounds
    • Substituents
  • aryl chloride
  • secondary aliphatic amine
  • azacycle
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • secondary amine
  • organohalogen compound
  • aryl halide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • tetrahydroisoquinoline
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • amine