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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:27 UTC
Update Date2025-03-25 00:56:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02218565
Frequency0.5
Structure
Chemical FormulaC11H14O2
Molecular Mass178.0994
SMILESCc1ccc(CCC=O)c(C)c1O
InChI KeyIJEWHHCYXDAVDP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass cresols
Direct Parent ortho cresols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-4-unsubstituted benzenoids
  • alpha-hydrogen aldehydes
  • hydrocarbon derivatives
  • organic oxides
  • m-xylenes
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • m-xylene
  • aldehyde
  • 1-hydroxy-4-unsubstituted benzenoid
  • aromatic homomonocyclic compound
  • xylene
  • organic oxide
  • organic oxygen compound
  • alpha-hydrogen aldehyde
  • o-cresol
  • hydrocarbon derivative
  • organooxygen compound