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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:01:34 UTC
Update Date2025-03-21 18:06:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00065866
Frequency46.4
Structure
Chemical FormulaC13H18
Molecular Mass174.1409
SMILESC=C(C)c1ccc(C)c(C(C)C)c1
InChI KeyQLAFKUQBOKCPDE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylpropenes
Direct Parent phenylpropenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • branched unsaturated hydrocarbons
  • cumenes
  • cyclic olefins
  • phenylpropanes
  • toluenes
  • unsaturated aliphatic hydrocarbons
    • Substituents
  • cyclic olefin
  • olefin
  • hydrocarbon
  • unsaturated hydrocarbon
  • phenylpropane
  • aromatic homomonocyclic compound
  • branched unsaturated hydrocarbon
  • phenylpropene
  • unsaturated aliphatic hydrocarbon
  • cumene
  • toluene