Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:31:01 UTC
Update Date2025-03-21 22:20:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00558807
Frequency3.0
Structure
Chemical FormulaC4H6O3
Molecular Mass102.0317
SMILESOC1OCC2OC12
InChI KeyQPBIDWQKUXJIKE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxanes
Subclass 1,4-dioxanes
Direct Parent 1,4-dioxanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • dialkyl ethers
  • epoxides
  • hemiacetals
  • hydrocarbon derivatives
  • oxacyclic compounds
  • tetrahydrofurans
  • Substituents
  • ether
  • tetrahydrofuran
  • oxirane
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxygen compound
  • para-dioxane
  • hemiacetal
  • hydrocarbon derivative
  • organooxygen compound