Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:30:50 UTC
Update Date2025-03-21 18:41:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00135954
Frequency18.4
Structure
Chemical FormulaC14H22O2
Molecular Mass222.162
SMILESCC1=CC(=O)CC(C)(C)C1C=CC(C)(C)O
InChI KeySKYMIOYMKJODSC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classprenol lipids
Subclass sesquiterpenoids
Direct Parent sesquiterpenoids
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • cyclohexenones
  • hydrocarbon derivatives
  • organic oxides
  • tertiary alcohols
  • Substituents
  • alcohol
  • cyclohexenone
  • carbonyl group
  • megastigmane sesquiterpenoid
  • cyclic ketone
  • ketone
  • tertiary alcohol
  • organic oxide
  • sesquiterpenoid
  • organic oxygen compound
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound