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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:13 UTC
Update Date2025-03-25 00:50:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183549
Frequency0.5
Structure
Chemical FormulaC19H15Cl3O10
Molecular Mass507.9731
SMILESO=C(O)c1cc(Cl)c(Oc2ccc(Cl)cc2OC2OC(C(=O)O)C(O)C(O)C2O)cc1Cl
InChI KeyUKYUUHPJLTUVDU-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
  • 1-carboxy-2-haloaromatic compounds
  • 2-halobenzoic acids
  • 3-halobenzoic acids
  • acetals
  • aryl chlorides
  • benzoyl derivatives
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • diarylethers
  • dicarboxylic acids and derivatives
  • dichlorobenzenes
  • dichlorobenzoic acids
  • diphenylethers
  • glucuronic acid derivatives
  • halobenzoic acids
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • organochlorides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • pyran carboxylic acids
  • secondary alcohols
  • vinylogous halides
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • 2-halobenzoic acid
  • carboxylic acid
  • 3-halobenzoic acid or derivatives
  • organochloride
  • benzoyl
  • o-glucuronide
  • monosaccharide
  • pyran carboxylic acid
  • 1-o-glucuronide
  • beta-hydroxy acid
  • 3-halobenzoic acid
  • acetal
  • 1-carboxy-2-haloaromatic compound
  • oxane
  • organoheterocyclic compound
  • aryl chloride
  • chlorobenzene
  • alcohol
  • halobenzoic acid
  • vinylogous halide
  • aryl halide
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • halobenzene
  • phenoxy compound
  • diaryl ether
  • carbonyl group
  • ether
  • aromatic heteromonocyclic compound
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • benzoic acid
  • pyran carboxylic acid or derivatives
  • 1,4-dichlorobenzene
  • benzoic acid or derivatives
  • hydroxy acid
  • halobenzoic acid or derivatives
  • 2-halobenzoic acid or derivatives
  • oxacycle
  • pyran
  • secondary alcohol
  • 2,5-dichlorobenzoic acid
  • benzenoid
  • diphenylether