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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:30:17 UTC
Update Date2025-03-21 18:41:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00134691
Frequency18.7
Structure
Chemical FormulaC7H12O5
Molecular Mass176.0685
SMILESO=C1CC(O)(C(O)CO)CCO1
InChI KeyWVCOWISESLKUEZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classlactones
Subclass delta valerolactones
Direct Parent delta valerolactones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • tertiary alcohols
    • Substituents
  • alcohol
  • carbonyl group
  • delta valerolactone
  • carboxylic acid derivative
  • oxacycle
  • tertiary alcohol
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • primary alcohol
  • delta_valerolactone
  • organooxygen compound