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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:23 UTC
Update Date2025-03-25 00:54:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204425
Frequency0.5
Structure
Chemical FormulaC7H12O5
Molecular Mass176.0685
SMILESOCC1OC2OC(CO)C1C2O
InChI KeyBQVHHLVOBDXDOL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxanes
Subclass 1,3-dioxanes
Direct Parent 1,3-dioxanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • hydrocarbon derivatives
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • alcohol
  • tetrahydrofuran
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxygen compound
  • acetal
  • secondary alcohol
  • hydrocarbon derivative
  • primary alcohol
  • meta-dioxane
  • organooxygen compound