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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:59 UTC
Update Date2025-03-25 00:57:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02224414
Frequency0.5
Structure
Chemical FormulaC9H11Cl3O8
Molecular Mass351.952
SMILESO=C(O)C1C(O)C(O)C(O)C(O)C1OC(=O)C(Cl)(Cl)Cl
InChI KeyCMIOTCHYRRPHII-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclohexanols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • alkyl chlorides
  • alpha-halocarboxylic acid derivatives
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • cyclitols and derivatives
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organochlorides
    • Substituents
  • alpha-halocarboxylic acid or derivatives
  • carbonyl group
  • carboxylic acid
  • alkyl chloride
  • organochloride
  • cyclohexanol
  • cyclitol or derivatives
  • hydroxy acid
  • cyclic alcohol
  • carboxylic acid derivative
  • organohalogen compound
  • alpha-halocarboxylic acid derivative
  • beta-hydroxy acid
  • organic oxide
  • carboxylic acid ester
  • aliphatic homomonocyclic compound
  • dicarboxylic acid or derivatives
  • alkyl halide
  • hydrocarbon derivative