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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:30 UTC
Update Date2025-03-25 00:54:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02209310
Frequency0.5
Structure
Chemical FormulaC13H17ClO2
Molecular Mass240.0917
SMILESCC1(C)CCC(C)(c2ccc(O)c(Cl)c2)O1
InChI KeyBIAINLVALRLSGZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass halophenols
Direct Parent halophenols
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aryl chlorides
  • chlorobenzenes
  • dialkyl ethers
  • hydrocarbon derivatives
  • o-chlorophenols
  • organochlorides
  • oxacyclic compounds
  • tetrahydrofurans
    • Substituents
  • aryl chloride
  • 2-chlorophenol
  • chlorobenzene
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • tetrahydrofuran
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • dialkyl ether
  • aryl halide
  • 2-halophenol
  • oxacycle
  • organic oxygen compound
  • hydrocarbon derivative
  • halobenzene
  • organoheterocyclic compound
  • organooxygen compound