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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:18 UTC
Update Date2025-03-25 00:47:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163139
Frequency0.5
Structure
Chemical FormulaC11H12ClNO2
Molecular Mass225.0557
SMILESO=C(O)C1(c2ccc(Cl)cc2)CCCN1
InChI KeyZKYGLLKKGCYRNH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass phenylpyrrolidines
Direct Parent phenylpyrrolidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alpha amino acids
  • amino acids
  • aryl chlorides
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • chlorobenzenes
  • dialkylamines
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organochlorides
  • organopnictogen compounds
  • pyrroles
  • pyrrolidine carboxylic acids
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • amino acid
  • organochloride
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • pyrrolidine carboxylic acid
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • aryl chloride
  • chlorobenzene
  • secondary aliphatic amine
  • azacycle
  • 2-phenylpyrrolidine
  • secondary amine
  • aryl halide
  • monocarboxylic acid or derivatives
  • pyrrolidine carboxylic acid or derivatives
  • organic oxygen compound
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • halobenzene
  • organooxygen compound
  • amine