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Record Information
HMDB Statusdetected
Creation Date2024-02-20 23:37:16 UTC
Update Date2025-03-21 17:57:37 UTC
HMDB IDHMDB0061810
Metabolite Identification
DeepMet IDDMID00009099
Name2,4-Dimethyl-1-(1-methylethyl)-benzene
Frequency533.1
Structure
Chemical FormulaC11H16
Molecular Mass148.1252
SMILESCc1ccc(C(C)C)c(C)c1
InChI KeyAADQFNAACHHRLT-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
  • cumenes
  • monocyclic monoterpenoids
  • phenylpropanes
  • saturated hydrocarbons
  • m-xylenes
  • Substituents
  • saturated hydrocarbon
  • monocyclic benzene moiety
  • monocyclic monoterpenoid
  • m-xylene
  • p-cymene
  • hydrocarbon
  • phenylpropane
  • aromatic homomonocyclic compound
  • xylene
  • cumene
  • benzenoid
  • aromatic monoterpenoid