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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:07 UTC
Update Date2025-03-25 00:50:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183304
Frequency0.5
Structure
Chemical FormulaC9H10N2O3
Molecular Mass194.0691
SMILESO=C1CC(O)CC(c2cnccn2)O1
InChI KeyJHMCEKYYKKNHMY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classlactones
Subclass delta valerolactones
Direct Parent delta valerolactones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acid esters
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • pyrazines
  • secondary alcohols
    • Substituents
  • alcohol
  • carbonyl group
  • aromatic heteromonocyclic compound
  • azacycle
  • delta valerolactone
  • heteroaromatic compound
  • carboxylic acid derivative
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrazine
  • carboxylic acid ester
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • oxane
  • delta_valerolactone
  • organooxygen compound