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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:46 UTC
Update Date2025-03-25 00:45:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150595
Frequency0.5
Structure
Chemical FormulaC9H14O5
Molecular Mass202.0841
SMILESCC1(C)OC2OCC3COC(O3)C2O1
InChI KeyAQBDWFXVKZUFEM-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
  • hydrocarbon derivatives
  • ketals
  • organooxygen compounds
  • oxacyclic compounds
    • Substituents
  • aliphatic heteropolycyclic compound
  • oxacycle
  • meta-dioxolane
  • organic oxygen compound
  • acetal
  • 1,4-dioxepane
  • ketal
  • hydrocarbon derivative
  • organooxygen compound