Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:36 UTC
Update Date2025-03-25 00:45:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150186
Frequency0.5
Structure
Chemical FormulaC14H8Cl6O
Molecular Mass401.8706
SMILESClc1ccc(OC(c2ccccc2Cl)C(Cl)(Cl)Cl)c(Cl)c1
InChI KeyVXDSKVVDQUZAHG-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
  • alkyl chlorides
  • aryl chlorides
  • hydrocarbon derivatives
  • organochlorides
  • phenol ethers
  • phenoxy compounds
  • Substituents
  • aryl chloride
  • phenol ether
  • ether
  • alkyl chloride
  • organochloride
  • alkyl aryl ether
  • organohalogen compound
  • aryl halide
  • 1,3-dichlorobenzene
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • alkyl halide
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound