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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:19 UTC
Update Date2025-03-25 00:47:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02158703
Frequency0.5
Structure
Chemical FormulaC12H14O2
Molecular Mass190.0994
SMILESC=C(C)CC(=O)Cc1ccc(O)cc1
InChI KeyLDNCIWVGZJBSCO-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
  • hydrocarbon derivatives
  • ketones
  • organic oxides
    • Substituents
  • ketone
  • aromatic homomonocyclic compound
  • monocyclic benzene moiety
  • carbonyl group
  • organic oxide
  • organic oxygen compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • hydrocarbon derivative
  • organooxygen compound