Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:45:29 UTC
Update Date2025-03-21 18:00:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00027793
Frequency136.1
Structure
Chemical FormulaC10H13Cl2O3PS
Molecular Mass313.97
SMILESCCOP(=S)(OCC)Oc1ccc(Cl)cc1Cl
InChI KeyWGOWCPGHOCIHBW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic thiophosphoric acids and derivatives
Subclass thiophosphoric acid esters
Direct Parent phenyl thiophosphates
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aryl chlorides
  • dichlorobenzenes
  • hydrocarbon derivatives
  • organochlorides
  • organooxygen compounds
  • phenoxy compounds
  • thiophosphate triesters
  • Substituents
  • aryl chloride
  • chlorobenzene
  • monocyclic benzene moiety
  • organochloride
  • phenyl thiophosphate
  • organohalogen compound
  • aryl halide
  • 1,3-dichlorobenzene
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • thiophosphate triester
  • halobenzene
  • phenoxy compound
  • organooxygen compound