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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:11:09 UTC
Update Date2025-03-25 00:57:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02226944
Frequency0.5
Structure
Chemical FormulaC8H10Cl6O2
Molecular Mass347.8812
SMILESCC(C)CC(=O)OC(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
InChI KeyNVENZMNLTNJKBA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acid esters
Direct Parent chloropropanol esters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl chlorides
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organochlorides
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • alkyl chloride
  • organochloride
  • chloropropanol ester
  • carboxylic acid derivative
  • organohalogen compound
  • 1,3-dichloropropane-2-ol
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • alkyl halide
  • hydrocarbon derivative
  • organooxygen compound