Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:45:05 UTC
Update Date2025-03-24 20:53:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01597997
Frequency0.8
Structure
Chemical FormulaC6H10O3
Molecular Mass130.063
SMILESCOC(=O)C1CC(O)C1
InChI KeyBYKHAEUVLSBWSU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass carboxylic acid derivatives
Direct Parent methyl esters
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • secondary alcohols
  • Substituents
  • alcohol
  • carbonyl group
  • organic oxide
  • monocarboxylic acid or derivatives
  • methyl ester
  • organic oxygen compound
  • cyclobutanol
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound