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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:44 UTC
Update Date2025-03-25 01:02:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02253298
Frequency0.5
Structure
Chemical FormulaC12H20ClO14P
Molecular Mass454.0279
SMILESO=C(O)C1OC(OC2(CCl)OC(COP(=O)(O)O)C(O)C2O)C(O)C(O)C1O
InChI KeyWHSZDFZNWBAIKY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent pentose phosphates
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alkyl chlorides
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • ketals
  • monoalkyl phosphates
  • monocarboxylic acids and derivatives
  • monosaccharides
  • o-glucuronides
  • organic oxides
  • organochlorides
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • carbonyl group
  • carboxylic acid
  • glucuronic acid or derivatives
  • pentose phosphate
  • alkyl chloride
  • organochloride
  • o-glucuronide
  • pentose-5-phosphate
  • carboxylic acid derivative
  • organohalogen compound
  • pyran carboxylic acid
  • 1-o-glucuronide
  • beta-hydroxy acid
  • organic oxide
  • acetal
  • ketal
  • aliphatic heteromonocyclic compound
  • alkyl halide
  • oxane
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • tetrahydrofuran
  • hydroxy acid
  • oxacycle
  • monocarboxylic acid or derivatives
  • phosphoric acid ester
  • pyran
  • monoalkyl phosphate
  • secondary alcohol
  • hydrocarbon derivative
  • organic phosphoric acid derivative
  • alkyl phosphate