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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:08 UTC
Update Date2025-03-25 00:49:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02176516
Frequency0.5
Structure
Chemical FormulaC9H14O3
Molecular Mass170.0943
SMILESO=CC(O)C(O)C1C=CCCC1
InChI KeyGVXTUOBJPZDDIT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • 1,2-diols
  • alpha-hydroxyaldehydes
  • beta-hydroxy aldehydes
  • hydrocarbon derivatives
  • organic oxides
  • secondary alcohols
    • Substituents
  • alcohol
  • beta-hydroxy aldehyde
  • carbonyl group
  • monosaccharide
  • aldehyde
  • organic oxide
  • alpha-hydroxyaldehyde
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • 1,2-diol