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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:18:16 UTC
Update Date2025-03-24 20:15:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01390807
Frequency0.9
Structure
Chemical FormulaC5H6O4
Molecular Mass130.0266
SMILESO=C1OCC2OCC1O2
InChI KeyUCMFXSJDFKONHF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxepanes
Subclass 1,4-dioxepanes
Direct Parent 1,4-dioxepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dioxolanes
  • 1,4-dioxanes
  • acetals
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • meta-dioxolane
  • carbonyl group
  • 1,4-dioxepane
  • carboxylic acid derivative
  • lactone
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • acetal
  • para-dioxane
  • carboxylic acid ester
  • hydrocarbon derivative
  • organooxygen compound