Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:43:44 UTC
Update Date2025-03-21 17:59:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00023661
Frequency165.9
Structure
Chemical FormulaC6H8O4
Molecular Mass144.0423
SMILESO=C1CCC(O)(C(=O)O)C1
InChI KeyIYUUFHXEFMTUFD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclopentanols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • alpha hydroxy acids and derivatives
  • carboxylic acids
  • cyclic alcohols and derivatives
  • cyclic ketones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • tertiary alcohols
  • Substituents
  • carbonyl group
  • carboxylic acid
  • alpha-hydroxy acid
  • cyclic ketone
  • hydroxy acid
  • cyclic alcohol
  • carboxylic acid derivative
  • cyclopentanol
  • ketone
  • tertiary alcohol
  • organic oxide
  • monocarboxylic acid or derivatives
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative