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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:07 UTC
Update Date2025-03-25 00:47:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02162702
Frequency0.5
Structure
Chemical FormulaC16H19ClO10
Molecular Mass406.0667
SMILESO=C(CCc1ccc(O)c(Cl)c1)OCOC1OC(C(=O)O)C(O)C(O)C1O
InChI KeyQHTINGQOMQIKST-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-hydroxy-2-unsubstituted benzenoids
  • acetals
  • aryl chlorides
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • chlorobenzenes
  • dicarboxylic acids and derivatives
  • fatty acid esters
  • glucuronic acid derivatives
  • halophenols
  • hydrocarbon derivatives
  • monosaccharides
  • o-chlorophenols
  • organic oxides
  • organochlorides
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • organochloride
  • o-glucuronide
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • carboxylic acid derivative
  • organohalogen compound
  • pyran carboxylic acid
  • 1-o-glucuronide
  • beta-hydroxy acid
  • organic oxide
  • acetal
  • oxane
  • organoheterocyclic compound
  • aryl chloride
  • 2-chlorophenol
  • chlorobenzene
  • alcohol
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • aryl halide
  • 2-halophenol
  • oxacycle
  • fatty acid ester
  • pyran
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • halobenzene