Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:19:19 UTC
Update Date2025-03-21 22:15:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00530917
Frequency3.2
Structure
Chemical FormulaC8H14O2
Molecular Mass142.0994
SMILESCC12CCC(O)C(CC1)O2
InChI KeyPWGLGKKBHWTWRO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxanes
Subclass oxanes
Direct Parent oxanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • cyclic alcohols and derivatives
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
  • tetrahydrofurans
  • Substituents
  • alcohol
  • ether
  • tetrahydrofuran
  • cyclic alcohol
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • organooxygen compound