Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:32 UTC
Update Date2025-03-25 00:47:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163643
Frequency0.5
Structure
Chemical FormulaC16H24O4
Molecular Mass280.1675
SMILESCC12CC(O)C3C(CCCC3(C)C(=O)O)C1CCC2=O
InChI KeySNJFLQXNEYUCIH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclic alcohols and derivatives
Geometric Descriptor aliphatic homopolycyclic compounds
Alternative Parents
  • carboxylic acids
  • hydrocarbon derivatives
  • ketones
  • monocarboxylic acids and derivatives
  • organic oxides
  • secondary alcohols
  • Substituents
  • carbonyl group
  • carboxylic acid
  • cyclic alcohol
  • carboxylic acid derivative
  • aliphatic homopolycyclic compound
  • ketone
  • organic oxide
  • monocarboxylic acid or derivatives
  • secondary alcohol
  • hydrocarbon derivative