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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:26:13 UTC
Update Date2025-03-24 22:13:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01121022
Frequency1.2
Structure
Chemical FormulaC6H10O3
Molecular Mass130.063
SMILESOC1COC2CCC1O2
InChI KeyLQZVJXHJVNBMRP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxepanes
Subclass oxepanes
Direct Parent oxepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dioxanes
  • acetals
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • alcohol
  • tetrahydrofuran
  • aliphatic heteropolycyclic compound
  • oxepane
  • oxacycle
  • organic oxygen compound
  • acetal
  • secondary alcohol
  • hydrocarbon derivative
  • meta-dioxane
  • organooxygen compound