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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:56 UTC
Update Date2025-03-21 18:39:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00124470
Frequency20.7
Structure
Chemical FormulaC6H10O5
Molecular Mass162.0528
SMILESOCC1OC2COC(O2)C1O
InChI KeyCMFWUJZSMOCMPC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxepanes
Subclass 1,4-dioxepanes
Direct Parent 1,4-dioxepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dioxanes
  • 1,3-dioxolanes
  • acetals
  • hydrocarbon derivatives
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • meta-dioxolane
  • 1,4-dioxepane
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxygen compound
  • acetal
  • secondary alcohol
  • hydrocarbon derivative
  • primary alcohol
  • meta-dioxane
  • organooxygen compound