Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:19:49 UTC
Update Date2025-03-24 14:16:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00818153
Frequency1.8
Structure
Chemical FormulaC6H10O2
Molecular Mass114.0681
SMILESCC(=O)C(O)C1CC1
InChI KeyAITXHMCSPQJASZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent acyloins
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • alpha-hydroxy ketones
  • hydrocarbon derivatives
  • organic oxides
  • secondary alcohols
  • Substituents
  • ketone
  • alcohol
  • organic oxide
  • acyloin
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • alpha-hydroxy ketone