Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:15 UTC
Update Date2025-03-25 00:45:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02151710
Frequency0.5
Structure
Chemical FormulaC13H10Cl2O
Molecular Mass252.0109
SMILESClc1ccc(COc2ccc(Cl)cc2)cc1
InChI KeyFDBRORYMJBHVOT-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
  • Substituents
  • aryl chloride
  • chlorobenzene
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • organochloride
  • alkyl aryl ether
  • organohalogen compound
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • hydrocarbon derivative
  • halobenzene
  • phenoxy compound
  • organooxygen compound