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Record Information
HMDB Statuspredicted
Creation Date2024-02-21 00:17:13 UTC
Update Date2025-03-21 18:35:01 UTC
HMDB IDHMDB0141179
Metabolite Identification
DeepMet IDDMID00103514
Name4-hydroxy-4-(4-hydroxyphenyl)butan-2-one
Frequency26.2
Structure
Chemical FormulaC10H12O3
Molecular Mass180.0786
SMILESCC(=O)CC(O)c1ccc(O)cc1
InChI KeyOWSFIUZTKKLFFF-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
  • aromatic alcohols
  • benzene and substituted derivatives
  • beta-hydroxy ketones
  • hydrocarbon derivatives
  • organic oxides
  • secondary alcohols
    • Substituents
  • aromatic alcohol
  • alcohol
  • beta-hydroxy ketone
  • monocyclic benzene moiety
  • carbonyl group
  • 1-hydroxy-2-unsubstituted benzenoid
  • ketone
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound