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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:43:08 UTC
Update Date2025-03-24 20:26:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01449834
Frequency0.9
Structure
Chemical FormulaC6H8O4
Molecular Mass144.0423
SMILESOCC12OCC3OC(O1)C32
InChI KeyHPCNXDMURWXDHR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxepanes
Subclass 1,3-dioxepanes
Direct Parent 1,3-dioxepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dioxanes
  • 1,4-dioxepanes
  • alcohols and polyols
  • hydrocarbon derivatives
  • ketals
  • oxacyclic compounds
  • oxetanes
  • tetrahydrofurans
    • Substituents
  • alcohol
  • 1,3-dioxepane
  • tetrahydrofuran
  • 1,4-dioxepane
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxygen compound
  • acetal
  • ketal
  • oxetane
  • hydrocarbon derivative
  • meta-dioxane
  • organooxygen compound