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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:31:03 UTC
Update Date2025-03-21 22:20:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00558882
Frequency3.0
Structure
Chemical FormulaC5H8O4
Molecular Mass132.0423
SMILESCC1OC(=O)OCC1O
InChI KeyIITZBYFSZHRAIH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxanes
Subclass 1,3-dioxanes
Direct Parent 1,3-dioxanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonic acid diesters
  • carbonyl compounds
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • carbonyl group
  • carbonic acid derivative
  • carbonic acid diester
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • meta-dioxane
  • organooxygen compound