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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:28 UTC
Update Date2025-03-25 00:48:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02165818
Frequency0.5
Structure
Chemical FormulaC14H18O2
Molecular Mass218.1307
SMILESCC1C(=O)CC(c2ccc(O)cc2)C1(C)C
InChI KeySGEMVGXEMJCDND-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