Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:06:12 UTC
Update Date2025-03-21 18:29:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00077049
Frequency38.1
Structure
Chemical FormulaC9H16O3
Molecular Mass172.1099
SMILESCC(O)C(=O)C1CCC(O)CC1
InChI KeyAMMASBQFRUKADA-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
  • acyloins
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • Substituents
  • carbonyl group
  • cyclohexanol
  • cyclic alcohol
  • ketone
  • organic oxide
  • acyloin
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative