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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:56:20 UTC
Update Date2025-03-21 18:04:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00053519
Frequency60.4
Structure
Chemical FormulaC6H10O4
Molecular Mass146.0579
SMILESOC1CC2OCC(O2)C1O
InChI KeyKBSZGCLBGUKOON-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxepanes
Subclass oxepanes
Direct Parent oxepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • 1,3-dioxolanes
  • acetals
  • hydrocarbon derivatives
  • monosaccharides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
    • Substituents
  • alcohol
  • meta-dioxolane
  • monosaccharide
  • aliphatic heteropolycyclic compound
  • oxepane
  • oxacycle
  • saccharide
  • organic oxygen compound
  • acetal
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • organooxygen compound
  • 1,2-diol