Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:44:52 UTC
Update Date2025-03-24 20:27:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01453765
Frequency0.9
Structure
Chemical FormulaC7H10O3
Molecular Mass142.063
SMILESCC1(O)CC2OC1C1OC21
InChI KeyUDIHYICPYUFHPQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxepanes
Subclass oxepanes
Direct Parent oxepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,4-dioxanes
  • cyclic alcohols and derivatives
  • dialkyl ethers
  • epoxides
  • hydrocarbon derivatives
  • monosaccharides
  • oxacyclic compounds
  • tertiary alcohols
  • tetrahydrofurans
  • Substituents
  • alcohol
  • ether
  • tetrahydrofuran
  • oxirane
  • monosaccharide
  • cyclic alcohol
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxepane
  • oxacycle
  • tertiary alcohol
  • saccharide
  • organic oxygen compound
  • para-dioxane
  • hydrocarbon derivative
  • organooxygen compound