Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:16:49 UTC
Update Date2025-03-21 19:09:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00243281
Frequency8.7
Structure
Chemical FormulaC8H14O
Molecular Mass126.1045
SMILESCC1CCC2(C)OC2C1
InChI KeyPDAKVEGPRQBBQP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxepanes
Subclass oxepanes
Direct Parent oxepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • dialkyl ethers
  • epoxides
  • hydrocarbon derivatives
  • oxacyclic compounds
  • Substituents
  • aliphatic heteropolycyclic compound
  • oxepane
  • oxacycle
  • ether
  • organic oxygen compound
  • oxirane
  • hydrocarbon derivative
  • dialkyl ether
  • organooxygen compound