Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:30:40 UTC
Update Date2025-03-21 18:41:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00135563
Frequency18.5
Structure
Chemical FormulaC12H16
Molecular Mass160.1252
SMILESC=CCc1ccc(C(C)C)cc1
InChI KeyQBLYEXXCHLBGNO-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
  • cyclic olefins
  • monocyclic monoterpenoids
  • phenylpropanes
  • unsaturated aliphatic hydrocarbons
  • Substituents
  • monocyclic benzene moiety
  • cyclic olefin
  • monocyclic monoterpenoid
  • olefin
  • p-cymene
  • hydrocarbon
  • unsaturated hydrocarbon
  • phenylpropane
  • aromatic homomonocyclic compound
  • unsaturated aliphatic hydrocarbon
  • cumene
  • benzenoid
  • aromatic monoterpenoid