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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:58:07 UTC
Update Date2025-03-24 20:33:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01485038
Frequency0.9
Structure
Chemical FormulaC5H7NO3
Molecular Mass129.0426
SMILESCC(O)C1=NOC(=O)C1
InChI KeyMTBAZEJFEIDFEO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazolines
Subclass isoxazolines
Direct Parent isoxazolinones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acid salts
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organic salts
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxime esters
  • secondary alcohols
  • Substituents
  • alcohol
  • isoxazolinone
  • carbonyl group
  • azacycle
  • oximester
  • carboxylic acid derivative
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic salt
  • carboxylic acid salt
  • organooxygen compound