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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:00 UTC
Update Date2025-03-21 18:35:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00105451
Frequency25.6
Structure
Chemical FormulaC9H13O4P
Molecular Mass216.0551
SMILESCCOP(=O)(O)Oc1ccc(C)cc1
InChI KeyRPQOGZDVCXECEE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenoxy compounds
Direct Parent phenoxy compounds
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • organic oxides
  • organooxygen compounds
  • toluenes
    • Substituents
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • phosphoric acid ester
  • monoalkyl phosphate
  • hydrocarbon derivative
  • phenoxy compound
  • toluene
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound