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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:19 UTC
Update Date2025-03-25 00:46:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02158684
Frequency0.5
Structure
Chemical FormulaC6H10O4
Molecular Mass146.0579
SMILESOC1COC2COC1CO2
InChI KeyLMMOETLUUVFIAZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxepanes
Subclass 1,3-dioxepanes
Direct Parent 1,3-dioxepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,4-dioxanes
  • 1,4-dioxepanes
  • acetals
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • 1,3-dioxepane
  • ether
  • 1,4-dioxepane
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxygen compound
  • acetal
  • para-dioxane
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound