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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:53:47 UTC
Update Date2025-03-21 18:03:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00047636
Frequency69.9
Structure
Chemical FormulaC14H18O2
Molecular Mass218.1307
SMILESC=CC(=O)Cc1c(C)c(C)c(O)c(C)c1C
InChI KeySXGKXWXJPKDPNH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass cresols
Direct Parent meta cresols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • acryloyl compounds
  • benzene and substituted derivatives
  • enones
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • ortho cresols
  • phenols
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • m-cresol
  • alpha,beta-unsaturated ketone
  • ketone
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • o-cresol
  • hydrocarbon derivative
  • acryloyl-group
  • organooxygen compound
  • enone