Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:25:39 UTC
Update Date2025-03-21 19:15:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00263522
Frequency7.8
Structure
Chemical FormulaC7H12O3
Molecular Mass144.0786
SMILESO=C1CCC(O)(CO)CC1
InChI KeyJHUVKIXGKBDMKZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • 1,2-diols
  • cyclic alcohols and derivatives
  • cyclic ketones
  • hydrocarbon derivatives
  • organic oxides
  • Substituents
  • carbonyl group
  • cyclic ketone
  • cyclic alcohol
  • ketone
  • tertiary alcohol
  • organic oxide
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • 1,2-diol