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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:24:24 UTC
Update Date2025-03-21 18:38:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00120941
Frequency21.5
Structure
Chemical FormulaC7H12O4
Molecular Mass160.0736
SMILESCC1(O)CCC(=O)OCC1O
InChI KeyNQLXDYHPESYSJQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classlactones
Subclass lactones
Direct Parent lactones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • oxepanes
  • secondary alcohols
  • tertiary alcohols
    • Substituents
  • alcohol
  • caprolactone
  • carbonyl group
  • carboxylic acid derivative
  • lactone
  • oxepane
  • oxacycle
  • tertiary alcohol
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound
  • 1,2-diol