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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:45:22 UTC
Update Date2025-03-24 20:53:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01598634
Frequency0.8
Structure
Chemical FormulaC8H12O2
Molecular Mass140.0837
SMILESCC12CCC(OC1)C1OC12
InChI KeyPRXJDQXVARDZQI-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
  • dialkyl ethers
  • epoxides
  • hydrocarbon derivatives
  • oxacyclic compounds
  • oxanes
  • oxepanes
    • Substituents
  • ether
  • 1,4-dioxepane
  • oxirane
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxepane
  • oxacycle
  • organic oxygen compound
  • hydrocarbon derivative
  • oxane
  • organooxygen compound