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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:07 UTC
Update Date2025-03-25 00:54:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02203812
Frequency0.5
Structure
Chemical FormulaC10H13ClO4
Molecular Mass232.0502
SMILESOCC(O)C(O)COc1ccccc1Cl
InChI KeyGHQWJRZVIULAHJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • aryl chlorides
  • chlorobenzenes
  • hydrocarbon derivatives
  • organochlorides
  • phenoxy compounds
  • primary alcohols
  • secondary alcohols
    • Substituents
  • aryl chloride
  • chlorobenzene
  • alcohol
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • organochloride
  • alkyl aryl ether
  • organohalogen compound
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • halobenzene
  • phenoxy compound
  • primary alcohol
  • organooxygen compound