Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:59:06 UTC
Update Date2025-03-21 18:05:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00060038
Frequency52.2
Structure
Chemical FormulaC9H16O3
Molecular Mass172.1099
SMILESCC(C(=O)O)C1CCC(O)CC1
InChI KeyPUNYHJATKAKTCA-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
  • Substituents
  • carbonyl group
  • carboxylic acid
  • cyclohexanol
  • cyclic alcohol
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative