Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:23 UTC
Update Date2025-03-25 00:52:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02195210
Frequency0.5
Structure
Chemical FormulaC16H22O3
Molecular Mass262.1569
SMILESCC1CC(C)C(OC(=O)Cc2ccccc2)C(O)C1
InChI KeyFYKWFIHSAFQYHB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclohexanols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • cyclohexanol
  • cyclic alcohol
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • carboxylic acid ester
  • hydrocarbon derivative
  • benzenoid