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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:48:03 UTC
Update Date2025-03-24 22:22:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01173551
Frequency1.2
Structure
Chemical FormulaC6H7NO3
Molecular Mass141.0426
SMILESO=C(O)C1=NC2COC2C1
InChI KeyIUGAHXHEWHBQDX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxazepines
Subclass 1,4-oxazepines
Direct Parent 1,4-oxazepines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • hydrocarbon derivatives
  • ketimines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • oxetanes
  • propargyl-type 1,3-dipolar organic compounds
  • pyrrolines
    • Substituents
  • ketimine
  • carbonyl group
  • ether
  • carboxylic acid
  • imine
  • carboxylic acid derivative
  • dialkyl ether
  • propargyl-type 1,3-dipolar organic compound
  • aliphatic heteropolycyclic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • azacycle
  • organic 1,3-dipolar compound
  • para-oxazepine
  • oxacycle
  • monocarboxylic acid or derivatives
  • pyrroline
  • organic oxygen compound
  • oxetane
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound