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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:41 UTC
Update Date2025-03-25 00:47:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163994
Frequency0.5
Structure
Chemical FormulaC7H13NO5
Molecular Mass191.0794
SMILESCC(=O)NC1C(O)OOC(C)C1O
InChI KeyYFBDUVZBVLRITJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxanes
Subclass 1,2-dioxanes
Direct Parent 1,2-dioxanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkyl peroxides
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • alcohol
  • carbonyl group
  • carboxamide group
  • carboxylic acid derivative
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • dialkyl peroxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • ortho-dioxane
  • acetamide
  • organooxygen compound