Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:19:21 UTC
Update Date2025-03-21 19:11:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00249301
Frequency8.4
Structure
Chemical FormulaC7H12O2
Molecular Mass128.0837
SMILESOC1CCC2CCC1O2
InChI KeyCTRQCTCLNOKQGP-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