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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:25 UTC
Update Date2025-03-25 01:01:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02248067
Frequency0.5
Structure
Chemical FormulaC11H12O4
Molecular Mass208.0736
SMILESO=C1CC(O)(c2ccc(O)cc2)CC1O
InChI KeyHEYUBHUEKOSQEP-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
  • benzene and substituted derivatives
  • cyclic alcohols and derivatives
  • cyclic ketones
  • cyclopentanols
  • hydrocarbon derivatives
  • organic oxides
  • tertiary alcohols
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • carbonyl group
  • 1-hydroxy-2-unsubstituted benzenoid
  • cyclic ketone
  • cyclic alcohol
  • cyclopentanol
  • ketone
  • aromatic homomonocyclic compound
  • tertiary alcohol
  • organic oxide
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound