Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:40 UTC
Update Date2025-03-25 00:48:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166303
Frequency0.5
Structure
Chemical FormulaC10H18O3
Molecular Mass186.1256
SMILESCC1CC(C)(O)CCC1CC(=O)O
InChI KeyKCKIAGWJLHCJIP-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 acids
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • tertiary alcohols
  • Substituents
  • carbonyl group
  • carboxylic acid
  • cyclohexanol
  • cyclic alcohol
  • carboxylic acid derivative
  • tertiary alcohol
  • organic oxide
  • monocarboxylic acid or derivatives
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative