Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:19:52 UTC
Update Date2025-03-21 18:36:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00110043
Frequency24.3
Structure
Chemical FormulaC13H20O
Molecular Mass192.1514
SMILESCOc1cc(C(C)C)ccc1C(C)C
InChI KeyDJLIRTKJFKOVQB-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
  • alkyl aryl ethers
  • anisoles
  • cumenes
  • hydrocarbon derivatives
  • methoxybenzenes
  • monocyclic monoterpenoids
  • phenoxy compounds
  • phenylpropanes
  • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • monocyclic monoterpenoid
  • ether
  • p-cymene
  • alkyl aryl ether
  • methoxybenzene
  • phenylpropane
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • anisole
  • cumene
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound
  • aromatic monoterpenoid