Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:13:44 UTC
Update Date2025-03-24 20:13:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01380372
Frequency0.9
Structure
Chemical FormulaC7H12O3
Molecular Mass144.0786
SMILESCC1(CO)OC2COC1C2
InChI KeySNNMDLZHWQDUIM-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
  • alcohols and polyols
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • tetrahydrofurans
  • Substituents
  • alcohol
  • aliphatic heteropolycyclic compound
  • oxacycle
  • ether
  • organic oxygen compound
  • tetrahydrofuran
  • para-dioxane
  • hydrocarbon derivative
  • dialkyl ether
  • organooxygen compound