Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:55:47 UTC
Update Date2025-03-24 18:01:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01048087
Frequency1.3
Structure
Chemical FormulaC6H8O3
Molecular Mass128.0473
SMILESO=C1CC(O)CC2OC12
InChI KeyYEYBXSSLCJBWAE-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
  • ketones
  • organic oxides
  • oxacyclic compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • carbonyl group
  • ether
  • oxirane
  • cyclic alcohol
  • dialkyl ether
  • ketone
  • aliphatic heteropolycyclic compound
  • oxepane
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound