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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:30 UTC
Update Date2025-03-21 18:36:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00111554
Frequency23.8
Structure
Chemical FormulaC8H15NO6
Molecular Mass221.0899
SMILESNC1C(O)CC(=O)OC1C(O)C(O)CO
InChI KeyKNGFPXPCXXGION-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
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • carbonyl group
  • delta valerolactone
  • carboxylic acid derivative
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • oxane
  • primary alcohol
  • delta_valerolactone
  • organooxygen compound