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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:57 UTC
Update Date2025-03-25 00:56:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02219724
Frequency0.5
Structure
Chemical FormulaC13H18O2
Molecular Mass206.1307
SMILESCc1c(C)c(C=O)c(C)c(C(C)C)c1O
InChI KeyLJSZDKFADPGYCQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classprenol lipids
Subclass monoterpenoids
Direct Parent aromatic monoterpenoids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • benzoyl derivatives
  • cumenes
  • hydrocarbon derivatives
  • hydroxybenzaldehydes
  • meta cresols
  • monocyclic monoterpenoids
  • organic oxides
  • organooxygen compounds
  • ortho cresols
  • phenols
  • phenylpropanes
  • Substituents
  • monocyclic benzene moiety
  • monocyclic monoterpenoid
  • m-cresol
  • benzoyl
  • aldehyde
  • p-cymene
  • phenylpropane
  • aromatic homomonocyclic compound
  • benzaldehyde
  • organic oxide
  • aryl-aldehyde
  • organic oxygen compound
  • o-cresol
  • phenol
  • cumene
  • hydrocarbon derivative
  • benzenoid
  • hydroxybenzaldehyde
  • organooxygen compound
  • aromatic monoterpenoid