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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:22:47 UTC
Update Date2025-03-25 01:24:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02391652
Frequency0.5
Structure
Chemical FormulaC5H7NO3
Molecular Mass129.0426
SMILESO=C(O)C1CN=CCO1
InChI KeyAFTTVOBCDLFVOE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxazines
Subclass 1,4-oxazines
Direct Parent 1,4-oxazines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • hydrocarbon derivatives
  • imines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • carbonyl group
  • ether
  • carboxylic acid
  • azacycle
  • imine
  • organic 1,3-dipolar compound
  • carboxylic acid derivative
  • dialkyl ether
  • propargyl-type 1,3-dipolar organic compound
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • para-oxazine
  • organic nitrogen compound
  • organooxygen compound