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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:32:51 UTC
Update Date2025-03-25 01:28:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02415395
Frequency0.5
Structure
Chemical FormulaC7H12O2
Molecular Mass128.0837
SMILESCC1CC2OC2C(C)O1
InChI KeyWXNUBYYKKXVFHT-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
    • Substituents
  • ether
  • 1,4-dioxepane
  • oxirane
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxygen compound
  • hydrocarbon derivative
  • oxane
  • organooxygen compound