Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:21 UTC
Update Date2025-03-25 00:51:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02188421
Frequency0.5
Structure
Chemical FormulaC12H20O3
Molecular Mass212.1412
SMILESCC(O)C(=O)OC1CC2CCC1C2(C)C
InChI KeyRKDBZGYNYYEGCJ-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
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • secondary alcohols
  • Substituents
  • alcohol
  • carbonyl group
  • carboxylic acid derivative
  • aliphatic homopolycyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • bicyclic monoterpenoid
  • organooxygen compound