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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:46:29 UTC
Update Date2025-03-21 18:00:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00030105
Frequency123.6
Structure
Chemical FormulaC7H12O5
Molecular Mass176.0685
SMILESOC1C2COC(CO2)C(O)C1O
InChI KeySZSZLOKJFGZWBC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxepanes
Subclass oxepanes
Direct Parent oxepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,4-dioxanes
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • ether
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxepane
  • oxacycle
  • organic oxygen compound
  • para-dioxane
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound