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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:19 UTC
Update Date2025-03-25 00:45:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02149528
Frequency0.5
Structure
Chemical FormulaC13H18O3
Molecular Mass222.1256
SMILESC=CC(C)C(CO)Cc1ccc(O)c(O)c1
InChI KeyLYPMVKZHDJPRJZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • primary alcohols
    • Substituents
  • alcohol
  • aromatic homomonocyclic compound
  • monocyclic benzene moiety
  • organic oxygen compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • hydrocarbon derivative
  • 1-hydroxy-4-unsubstituted benzenoid
  • primary alcohol
  • organooxygen compound