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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:31 UTC
Update Date2025-03-25 00:49:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02172764
Frequency0.5
Structure
Chemical FormulaC13H18Cl2O
Molecular Mass260.0735
SMILESCCCC(CC)COc1ccc(Cl)cc1Cl
InChI KeyNPLAUJLWAVXXBU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass halobenzenes
Direct Parent dichlorobenzenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • aryl chlorides
  • hydrocarbon derivatives
  • organochlorides
  • phenol ethers
  • phenoxy compounds
    • Substituents
  • aryl chloride
  • phenol ether
  • ether
  • organochloride
  • alkyl aryl ether
  • organohalogen compound
  • aryl halide
  • 1,3-dichlorobenzene
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound