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Showing information for DMID00063043

Record Information
HMDB Statusdetected
Creation Date2024-02-21 00:00:23 UTC
Update Date2025-03-21 18:06:25 UTC
HMDB IDHMDB0256245
Metabolite Identification
DeepMet IDDMID00063043
NamePentachloroanisole
Frequency49.1
Structure
Chemical FormulaC7H3Cl5O
Molecular Mass277.8627
SMILESCOc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChI KeyBBABSCYTNHOKOG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • aryl chlorides
  • chlorobenzenes
  • hydrocarbon derivatives
  • methoxybenzenes
  • organochlorides
  • phenoxy compounds
    • Substituents
  • aryl chloride
  • chlorobenzene
  • monocyclic benzene moiety
  • ether
  • organochloride
  • alkyl aryl ether
  • organohalogen compound
  • methoxybenzene
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • halobenzene
  • phenoxy compound
  • organooxygen compound