Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:48 UTC
Update Date2025-03-25 00:55:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02214756
Frequency0.5
Structure
Chemical FormulaC15H20O
Molecular Mass216.1514
SMILESCC=CC(=O)Cc1cc(C(C)C)ccc1C
InChI KeyMRSPGRORXQDZNQ-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
  • acryloyl compounds
  • cumenes
  • enones
  • hydrocarbon derivatives
  • ketones
  • monocyclic monoterpenoids
  • organic oxides
  • phenylpropanes
  • toluenes
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • monocyclic monoterpenoid
  • p-cymene
  • alpha,beta-unsaturated ketone
  • ketone
  • phenylpropane
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • cumene
  • hydrocarbon derivative
  • benzenoid
  • acryloyl-group
  • toluene
  • organooxygen compound
  • aromatic monoterpenoid
  • enone