Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:37 UTC
Update Date2025-03-25 01:01:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02248509
Frequency0.5
Structure
Chemical FormulaC11H18O3
Molecular Mass198.1256
SMILESC=CC1(C)CCC(OC(C)=O)C(O)C1
InChI KeyRBLGYNUMVBXUPB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclohexanols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid esters
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • carbonyl group
  • cyclohexanol
  • cyclic alcohol
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • carboxylic acid ester
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative