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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:51:25 UTC
Update Date2025-03-21 18:03:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00041930
Frequency81.7
Structure
Chemical FormulaC12H17Cl3O9
Molecular Mass409.9938
SMILESO=C(O)C1OC(OC2(CCl)OC(CCl)C(O)C2O)C(O)C(O)C1Cl
InChI KeyYZKBWWRATDUTGD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent glucuronic acid derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alkyl chlorides
  • carbonyl compounds
  • carboxylic acids
  • chlorohydrins
  • hydrocarbon derivatives
  • ketals
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organochlorides
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • carbonyl group
  • carboxylic acid
  • glucuronic acid or derivatives
  • chlorohydrin
  • alkyl chloride
  • organochloride
  • monosaccharide
  • carboxylic acid derivative
  • organohalogen compound
  • pyran carboxylic acid
  • organic oxide
  • acetal
  • ketal
  • aliphatic heteromonocyclic compound
  • alkyl halide
  • oxane
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • tetrahydrofuran
  • halohydrin
  • oxacycle
  • monocarboxylic acid or derivatives
  • pyran
  • secondary alcohol
  • hydrocarbon derivative