Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:29 UTC
Update Date2025-03-25 01:01:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250522
Frequency0.5
Structure
Chemical FormulaC16H22O
Molecular Mass230.1671
SMILESC=C(C)CCC(=O)Cc1ccc(C(C)C)cc1
InChI KeyXYDCMDKJELLPKX-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
  • hydrocarbon derivatives
  • ketones
  • monocyclic monoterpenoids
  • organic oxides
  • phenylpropanes
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • monocyclic monoterpenoid
  • p-cymene
  • ketone
  • phenylpropane
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • cumene
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aromatic monoterpenoid