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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:28 UTC
Update Date2025-03-25 00:54:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02206872
Frequency0.5
Structure
Chemical FormulaC13H19ClO12
Molecular Mass402.0565
SMILESO=C(O)C1OC(OC2C(O)C(O)C(O)C(O)C2C(=O)O)C(O)C(O)C1Cl
InChI KeyNIDSFXDZVRPOIS-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
  • acetals
  • alkyl chlorides
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • chlorohydrins
  • cyclitols and derivatives
  • cyclohexanols
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • organochlorides
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
    • Substituents
  • carbonyl group
  • carboxylic acid
  • glucuronic acid or derivatives
  • chlorohydrin
  • alkyl chloride
  • organochloride
  • monosaccharide
  • carboxylic acid derivative
  • organohalogen compound
  • pyran carboxylic acid
  • beta-hydroxy acid
  • organic oxide
  • acetal
  • aliphatic heteromonocyclic compound
  • alkyl halide
  • oxane
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • halohydrin
  • cyclohexanol
  • cyclitol or derivatives
  • hydroxy acid
  • cyclic alcohol
  • oxacycle
  • pyran
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative