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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:46 UTC
Update Date2025-03-25 00:52:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02196088
Frequency0.5
Structure
Chemical FormulaC12H12O2
Molecular Mass188.0837
SMILESCC1=CC(c2ccc(O)cc2)CC1=O
InChI KeyWXDQALLCKOGQCR-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 ketones
  • hydrocarbon derivatives
  • organic oxides
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • 1-hydroxy-2-unsubstituted benzenoid
  • cyclic ketone
  • ketone
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound