Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 17:00:41 UTC
Update Date2025-03-25 01:40:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02480875
Frequency0.5
Structure
Chemical FormulaC6H10O3
Molecular Mass130.063
SMILESOC1CC2CC(CO2)O1
InChI KeyGJWORGGEOATIFE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxepanes
Subclass 1,4-dioxepanes
Direct Parent 1,4-dioxepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • dialkyl ethers
  • hemiacetals
  • hydrocarbon derivatives
  • oxacyclic compounds
  • oxanes
  • tetrahydrofurans
  • Substituents
  • ether
  • tetrahydrofuran
  • 1,4-dioxepane
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxygen compound
  • hemiacetal
  • hydrocarbon derivative
  • oxane
  • organooxygen compound