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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:13:07 UTC
Update Date2025-03-24 21:58:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01950288
Frequency0.6
Structure
Chemical FormulaC5H7NO4
Molecular Mass145.0375
SMILESO=C1NC2COC(O2)C1O
InChI KeyFPSNWRYRHFNSHO-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
  • 1,3-dioxolanes
  • 1,3-oxazinanes
  • acetals
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • alcohol
  • meta-dioxolane
  • carbonyl group
  • lactam
  • azacycle
  • 1,3-oxazinane
  • carboxamide group
  • carboxylic acid derivative
  • oxazinane
  • para-oxazepine
  • aliphatic heteropolycyclic compound
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • acetal
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound