Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:27 UTC
Update Date2025-03-25 00:54:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02209212
Frequency0.5
Structure
Chemical FormulaC10H18O3
Molecular Mass186.1256
SMILESCC1(C)CC(C(=O)O)CC(C)(O)C1
InChI KeyCFZCOXJRZAWYSG-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 acids
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • tertiary alcohols
  • Substituents
  • carbonyl group
  • carboxylic acid
  • cyclohexanol
  • cyclic alcohol
  • carboxylic acid derivative
  • tertiary alcohol
  • organic oxide
  • monocarboxylic acid or derivatives
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative