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Record Information
HMDB Statusdetected
Creation Date2024-02-21 00:04:28 UTC
Update Date2025-03-21 18:28:36 UTC
HMDB IDHMDB0061814
Metabolite Identification
DeepMet IDDMID00072884
Name1-(1-methylethenyl)-3-(1-methylethyl)-benzene
Frequency41.0
Structure
Chemical FormulaC12H16
Molecular Mass160.1252
SMILESC=C(C)c1cccc(C(C)C)c1
InChI KeyBDXXZCIRCYKRBT-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
  • unsaturated aliphatic hydrocarbons
    • Substituents
  • cyclic olefin
  • olefin
  • hydrocarbon
  • unsaturated hydrocarbon
  • phenylpropane
  • aromatic homomonocyclic compound
  • branched unsaturated hydrocarbon
  • phenylpropene
  • unsaturated aliphatic hydrocarbon
  • cumene