Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:32 UTC
Update Date2025-03-25 00:49:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02172817
Frequency0.5
Structure
Chemical FormulaC13H22O
Molecular Mass194.1671
SMILESCCC=CCC1C(=O)CC(CC)C1C
InChI KeyIWRIGZAXCACYPD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classprenol lipids
Subclass monoterpenoids
Direct Parent iridoids and derivatives
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • cyclic ketones
  • hydrocarbon derivatives
  • monocyclic monoterpenoids
  • organic oxides
  • Substituents
  • ketone
  • carbonyl group
  • organic oxide
  • monocyclic monoterpenoid
  • organic oxygen compound
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • cyclic ketone
  • 11-noriridane monoterpenoid
  • organooxygen compound