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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:11:51 UTC
Update Date2025-03-25 00:58:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02228465
Frequency0.5
Structure
Chemical FormulaC11H20N2O8
Molecular Mass308.122
SMILESCC(=O)NC1C(O)OC(C(O)O)C(O)C(O)C1NC(C)=O
InChI KeyAYKNVMOLWJYOFA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxepanes
Subclass oxepanes
Direct Parent oxepanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,1-diols
  • 1,2-diols
  • acetamides
  • carbonyl compounds
  • carbonyl hydrates
  • carboxylic acids and derivatives
  • hemiacetals
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • alcohol
  • carbonyl group
  • carbonyl hydrate
  • 1,1-diol
  • carboxamide group
  • carboxylic acid derivative
  • oxepane
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hemiacetal
  • hydrocarbon derivative
  • organic nitrogen compound
  • acetamide
  • organooxygen compound
  • 1,2-diol