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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:46 UTC
Update Date2025-03-21 18:36:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00112194
Frequency32.9
Structure
Chemical FormulaC11H12ClNO4
Molecular Mass257.0455
SMILESO=C(O)CN=C(O)CCc1ccc(O)c(Cl)c1
InChI KeySJHHQZIURAWWGS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aryl chlorides
  • carbonyl compounds
  • carboximidic acids
  • carboxylic acids
  • chlorobenzenes
  • halophenols
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • o-chlorophenols
  • organic oxides
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • carboximidic acid
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • aryl chloride
  • 2-chlorophenol
  • chlorobenzene
  • organic 1,3-dipolar compound
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • halobenzene
  • organooxygen compound