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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:13:37 UTC
Update Date2025-03-21 18:33:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00094687
Frequency29.4
Structure
Chemical FormulaC14H13Cl5O7
Molecular Mass467.9104
SMILESO=C(O)C1OC(OC(c2ccc(Cl)cc2Cl)C(Cl)(Cl)Cl)C(O)C(O)C1O
InChI KeyZKKGECZUKGZSCF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent o-glucuronides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • alkyl chlorides
  • aryl chlorides
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • dichlorobenzenes
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organochlorides
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • alkyl chloride
  • organochloride
  • o-glucuronide
  • monosaccharide
  • carboxylic acid derivative
  • organohalogen compound
  • pyran carboxylic acid
  • 1,3-dichlorobenzene
  • 1-o-glucuronide
  • beta-hydroxy acid
  • organic oxide
  • acetal
  • alkyl halide
  • oxane
  • organoheterocyclic compound
  • aryl chloride
  • chlorobenzene
  • alcohol
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • aryl halide
  • oxacycle
  • monocarboxylic acid or derivatives
  • pyran
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • halobenzene