Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:04:17 UTC
Update Date2025-03-21 20:46:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00353131
Frequency5.4
Structure
Chemical FormulaC6H8O2
Molecular Mass112.0524
SMILESC1CC2OC1C1OC21
InChI KeyKLBCNXTVEQUQDA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxepanes
Subclass oxepanes
Direct Parent oxepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,4-dioxanes
  • dialkyl ethers
  • epoxides
  • hydrocarbon derivatives
  • oxacyclic compounds
  • tetrahydrofurans
  • Substituents
  • ether
  • tetrahydrofuran
  • oxirane
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxepane
  • oxacycle
  • organic oxygen compound
  • para-dioxane
  • hydrocarbon derivative
  • organooxygen compound