Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:52:55 UTC
Update Date2025-03-21 18:03:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00045559
Frequency73.8
Structure
Chemical FormulaC13H20
Molecular Mass176.1565
SMILESCc1ccc(C(C)C)c(C(C)C)c1
InChI KeyYVLPKJSCLOEPNC-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
  • toluenes
  • Substituents
  • saturated hydrocarbon
  • monocyclic benzene moiety
  • monocyclic monoterpenoid
  • p-cymene
  • hydrocarbon
  • phenylpropane
  • aromatic homomonocyclic compound
  • cumene
  • benzenoid
  • toluene
  • aromatic monoterpenoid