Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:18 UTC
Update Date2025-03-25 00:48:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02165452
Frequency0.5
Structure
Chemical FormulaC14H26O5
Molecular Mass274.178
SMILESCCC(C)(C)C(=O)OC1C(C)C(C)C(O)C(O)C1O
InChI KeyJOKJHIKQHDXRHO-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
  • fatty acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • fatty acyl
  • carbonyl group
  • cyclohexanol
  • cyclitol or derivatives
  • cyclic alcohol
  • carboxylic acid derivative
  • fatty acid ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • carboxylic acid ester
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative