Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:15:39 UTC
Update Date2025-03-21 22:13:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00522099
Frequency3.2
Structure
Chemical FormulaC4H6O3
Molecular Mass102.0317
SMILESO=C1CC(O)C1O
InChI KeyNJXUJEKDUUNJTB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclic alcohols and derivatives
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • 1,2-diols
  • cyclic ketones
  • hydrocarbon derivatives
  • organic oxides
  • secondary alcohols
  • Substituents
  • carbonyl group
  • cyclic ketone
  • ketone
  • organic oxide
  • cyclobutanol
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • 1,2-diol