Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:46 UTC
Update Date2025-03-25 00:51:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02189400
Frequency0.5
Structure
Chemical FormulaC13H18O
Molecular Mass190.1358
SMILESCC(C)c1ccc(C=O)c(C(C)C)c1
InChI KeyBKKSNSNLVYSDPD-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
  • benzaldehydes
  • benzoyl derivatives
  • cumenes
  • hydrocarbon derivatives
  • monocyclic monoterpenoids
  • organic oxides
  • organooxygen compounds
  • phenylpropanes
  • Substituents
  • monocyclic benzene moiety
  • monocyclic monoterpenoid
  • benzoyl
  • aldehyde
  • p-cymene
  • phenylpropane
  • aromatic homomonocyclic compound
  • benzaldehyde
  • organic oxide
  • aryl-aldehyde
  • organic oxygen compound
  • cumene
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aromatic monoterpenoid