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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:01 UTC
Update Date2025-03-21 18:34:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00103015
Frequency26.4
Structure
Chemical FormulaC8H13NO5
Molecular Mass203.0794
SMILESCC(=O)NC1C2OCC(O2)C(O)C1O
InChI KeyPJFUEEUSPVNDFW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxepanes
Subclass oxepanes
Direct Parent oxepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • 1,3-dioxolanes
  • acetals
  • acetamides
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • meta-dioxolane
  • carbonyl group
  • monosaccharide
  • carboxylic acid derivative
  • aliphatic heteropolycyclic compound
  • saccharide
  • organic oxide
  • acetal
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • acetamide
  • 1,2-diol
  • alcohol
  • carboxamide group
  • oxepane
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound