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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:48 UTC
Update Date2025-03-25 00:57:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02226170
Frequency0.5
Structure
Chemical FormulaC9H14N2O7
Molecular Mass262.0801
SMILESCC(=O)NC1N=C(C(=O)O)OC1C(O)C(O)CO
InChI KeyBXEMMFQGVGSENC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazolines
Subclass oxazolines
Direct Parent oxazolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • imidoesters
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • carboxylic acid
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • primary alcohol
  • acetamide
  • alcohol
  • azacycle
  • organic 1,3-dipolar compound
  • carboxamide group
  • imido ester
  • oxacycle
  • secondary carboxylic acid amide
  • oxazoline
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound