Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:56:22 UTC
Update Date2025-03-21 18:04:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00053621
Frequency60.3
Structure
Chemical FormulaC6H10O4
Molecular Mass146.0579
SMILESOC1C(O)C2COC2C1O
InChI KeyOKIUOJJTTYOBAM-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
  • hydrocarbon derivatives
  • oxacyclic compounds
  • oxetanes
  • secondary alcohols
  • Substituents
  • alcohol
  • ether
  • cyclic alcohol
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxepane
  • oxacycle
  • organic oxygen compound
  • oxetane
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound