Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:04 UTC
Update Date2025-03-25 01:00:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02244940
Frequency0.5
Structure
Chemical FormulaC11H17O3PS
Molecular Mass260.0636
SMILESCCOP(=S)(OC)Oc1cc(C)ccc1C
InChI KeyFTHDOIKVWYCTDA-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
  • p-xylenes
  • Substituents
  • monocyclic benzene moiety
  • phenyl thiophosphate
  • aromatic homomonocyclic compound
  • xylene
  • p-xylene
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • thiophosphate triester
  • phenoxy compound
  • organooxygen compound