Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:14:37 UTC
Update Date2025-03-24 14:14:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00805270
Frequency1.9
Structure
Chemical FormulaC7H12O3
Molecular Mass144.0786
SMILESCC(O)(CO)C(=O)C1CC1
InChI KeyZPUDVZJEDQCIRL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent beta-hydroxy ketones
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • 1,2-diols
  • acyloins
  • hydrocarbon derivatives
  • organic oxides
  • tertiary alcohols
  • Substituents
  • alcohol
  • beta-hydroxy ketone
  • tertiary alcohol
  • organic oxide
  • acyloin
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • 1,2-diol