Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:19:27 UTC
Update Date2025-03-25 01:23:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02384089
Frequency0.5
Structure
Chemical FormulaC4H6O4
Molecular Mass118.0266
SMILESOC1COC2(O)OC12
InChI KeyPUYBTQJLLJCPMV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxanes
Subclass 1,3-dioxanes
Direct Parent 1,3-dioxanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • epoxides
  • hydrocarbon derivatives
  • monosaccharides
  • orthocarboxylic acid derivatives
  • oxacyclic compounds
  • secondary alcohols
  • tetrahydrofurans
  • Substituents
  • alcohol
  • tetrahydrofuran
  • oxirane
  • monosaccharide
  • aliphatic heteropolycyclic compound
  • oxacycle
  • saccharide
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • orthocarboxylic acid derivative
  • meta-dioxane
  • organooxygen compound