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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:13:28 UTC
Update Date2025-03-25 00:58:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02232077
Frequency0.5
Structure
Chemical FormulaC7H10ClNO2
Molecular Mass175.04
SMILESCC1=C(Cl)C(=O)NC1C(C)O
InChI KeyQAVKJDGCBUQINE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrrolines
Direct Parent pyrrolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • chloroalkenes
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • secondary carboxylic acid amides
  • vinyl chlorides
    • Substituents
  • carbonyl group
  • lactam
  • organochloride
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • azacycle
  • chloroalkene
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyrroline
  • vinyl halide
  • haloalkene
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • vinyl chloride
  • organooxygen compound