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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:30:11 UTC
Update Date2025-03-24 20:21:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01419652
Frequency0.9
Structure
Chemical FormulaC4H6O4
Molecular Mass118.0266
SMILESO=C1OCC(O)CO1
InChI KeyDQIGFEWVGQCCTN-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