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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:27 UTC
Update Date2025-03-25 00:54:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204593
Frequency0.5
Structure
Chemical FormulaC8H7ClO2
Molecular Mass170.0135
SMILESO=CCc1cc(Cl)ccc1O
InChI KeyIELBVKZDRADQMA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylacetaldehydes
Direct Parent phenylacetaldehydes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alpha-hydrogen aldehydes
  • aryl chlorides
  • chlorobenzenes
  • halophenols
  • hydrocarbon derivatives
  • organic oxides
  • organochlorides
  • p-chlorophenols
    • Substituents
  • aryl chloride
  • chlorobenzene
  • carbonyl group
  • 4-chlorophenol
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • aldehyde
  • organohalogen compound
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • 4-halophenol
  • alpha-hydrogen aldehyde
  • phenol
  • hydrocarbon derivative
  • halobenzene
  • organooxygen compound
  • phenylacetaldehyde