Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:45:36 UTC
Update Date2025-03-25 00:48:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02168383
Frequency0.5
Structure
Chemical FormulaC11H17O4P
Molecular Mass244.0864
SMILESCC(C)C(C)c1ccc(OP(=O)(O)O)cc1
InChI KeyJUMCIMCWUUBYKZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic phosphoric acids and derivatives
Subclass phosphate esters
Direct Parent phenyl phosphates
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • phenoxy compounds
  • phenylpropanes
  • Substituents
  • monocyclic benzene moiety
  • phenyl phosphate
  • phenylpropane
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound