Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:25:28 UTC
Update Date2025-03-21 22:18:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00545659
Frequency3.1
Structure
Chemical FormulaC6H10O3
Molecular Mass130.063
SMILESOC1C2COCC1OC2
InChI KeyCJVUIQNGKPVSQA-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
  • hydrocarbon derivatives
  • monosaccharides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
  • tetrahydrofurans
  • Substituents
  • alcohol
  • ether
  • tetrahydrofuran
  • 1,4-dioxepane
  • monosaccharide
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • saccharide
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • organooxygen compound