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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:13:08 UTC
Update Date2025-03-25 00:58:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02231284
Frequency0.5
Structure
Chemical FormulaC14H24O3
Molecular Mass240.1725
SMILESCC1CC(O)C(C)C(CCC2CCC(=O)O2)C1
InChI KeyAOLZNYIWPPIFPK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclohexanols
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid esters
  • cyclic alcohols and derivatives
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • tetrahydrofurans
  • Substituents
  • carbonyl group
  • tetrahydrofuran
  • cyclohexanol
  • cyclic alcohol
  • carboxylic acid derivative
  • gamma butyrolactone
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organoheterocyclic compound