Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:35:28 UTC
Update Date2025-03-21 17:57:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00004948
Frequency1107.3
Structure
Chemical FormulaC10H15O3PS
Molecular Mass246.048
SMILESCCOP(=S)(OCC)Oc1ccccc1
InChI KeyXXWNKVBJDWSYBN-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
  • hydrocarbon derivatives
  • organooxygen compounds
  • phenoxy compounds
  • thiophosphate triesters
  • Substituents
  • monocyclic benzene moiety
  • phenyl thiophosphate
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • thiophosphate triester
  • phenoxy compound
  • organooxygen compound