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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:14 UTC
Update Date2025-03-25 00:56:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02218070
Frequency0.5
Structure
Chemical FormulaC11H18O4
Molecular Mass214.1205
SMILESCOC(=O)C1C(O)CC2CC1(O)C2(C)C
InChI KeyPIXCUTJTHHSQFY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classprenol lipids
Subclass monoterpenoids
Direct Parent bicyclic monoterpenoids
Geometric Descriptor aliphatic homopolycyclic compounds
Alternative Parents
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • methyl esters
  • monocarboxylic acids and derivatives
  • organic oxides
  • secondary alcohols
  • tertiary alcohols
  • Substituents
  • alcohol
  • carbonyl group
  • hydroxy acid
  • cyclic alcohol
  • carboxylic acid derivative
  • aliphatic homopolycyclic compound
  • pinane monoterpenoid
  • beta-hydroxy acid
  • tertiary alcohol
  • organic oxide
  • monocarboxylic acid or derivatives
  • methyl ester
  • organic oxygen compound
  • cyclobutanol
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • bicyclic monoterpenoid
  • organooxygen compound