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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:45:09 UTC
Update Date2025-03-25 00:48:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02167397
Frequency0.5
Structure
Chemical FormulaC9H14N2O7
Molecular Mass262.0801
SMILESCC(=O)NC1OC(O)C(N=C(O)C(=O)O)CC1O
InChI KeyQUAPMCFYICUUDH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxanes
Subclass oxanes
Direct Parent oxanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • carbonyl compounds
  • carboximidic acids
  • carboxylic acids
  • hemiacetals
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • carboximidic acid
  • carbonyl group
  • carboxylic acid
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • oxane
  • acetamide
  • alcohol
  • organic 1,3-dipolar compound
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound