Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:48:28 UTC
Update Date2025-03-24 20:29:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01461814
Frequency0.9
Structure
Chemical FormulaC8H14O2
Molecular Mass142.0994
SMILESCC1(O)CCC2(C)OC2C1
InChI KeyZWBGKQNYPQWFKH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxepanes
Subclass oxepanes
Direct Parent oxepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • cyclic alcohols and derivatives
  • dialkyl ethers
  • epoxides
  • hydrocarbon derivatives
  • oxacyclic compounds
  • tertiary alcohols
  • Substituents
  • alcohol
  • ether
  • oxirane
  • cyclic alcohol
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxepane
  • oxacycle
  • tertiary alcohol
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound