Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:13:59 UTC
Update Date2025-03-25 00:58:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02233240
Frequency0.5
Structure
Chemical FormulaC11H20O5
Molecular Mass232.1311
SMILESCC(C)COC(=O)C1(O)CCC(O)C(O)C1
InChI KeyJHHODLNRDFFFTD-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
  • cyclitols and derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • tertiary alcohols
  • Substituents
  • carbonyl group
  • cyclohexanol
  • cyclitol or derivatives
  • cyclic alcohol
  • carboxylic acid derivative
  • tertiary alcohol
  • organic oxide
  • monocarboxylic acid or derivatives
  • carboxylic acid ester
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative