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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:05 UTC
Update Date2025-03-25 00:50:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183257
Frequency0.5
Structure
Chemical FormulaC8H8Cl6O4
Molecular Mass377.8554
SMILESO=C(OC1C(O)C(O)C(Cl)C(Cl)C1Cl)C(Cl)(Cl)Cl
InChI KeyZPQAHZZAGHKQKG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclohexanols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • 1,2-diols
  • alkyl chlorides
  • alpha-halocarboxylic acid derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • chlorohydrins
  • cyclitols and derivatives
  • cyclohexyl halides
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organochlorides
    • Substituents
  • alpha-halocarboxylic acid or derivatives
  • carbonyl group
  • chlorohydrin
  • alkyl chloride
  • organochloride
  • cyclohexyl halide
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • alkyl halide
  • 1,2-diol
  • halohydrin
  • cyclohexanol
  • cyclitol or derivatives
  • cyclic alcohol
  • alpha-halocarboxylic acid derivative
  • monocarboxylic acid or derivatives
  • carboxylic acid ester
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative