Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:53:40 UTC
Update Date2025-03-21 20:06:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00328248
Frequency5.9
Structure
Chemical FormulaC6H10O3
Molecular Mass130.063
SMILESOC1CC(O)C2OC2C1
InChI KeyFYLRRRYHJSAPPR-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
  • secondary alcohols
  • Substituents
  • alcohol
  • ether
  • oxirane
  • cyclic alcohol
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxepane
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound