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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:11:36 UTC
Update Date2025-03-21 19:06:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00230928
Frequency9.3
Structure
Chemical FormulaC5H8O4
Molecular Mass132.0423
SMILESOC1OCC2COC1O2
InChI KeyJVXRYZFTDWWBEG-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
  • hemiacetals
  • hydrocarbon derivatives
  • organooxygen compounds
  • oxacyclic compounds
    • Substituents
  • meta-dioxolane
  • 1,4-dioxepane
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxygen compound
  • acetal
  • para-dioxane
  • hemiacetal
  • hydrocarbon derivative
  • organooxygen compound