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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:52:07 UTC
Update Date2025-03-21 18:03:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00043643
Frequency77.8
Structure
Chemical FormulaC9H10O3
Molecular Mass166.063
SMILESO=CCCc1ccc(O)c(O)c1
InChI KeyHVIBSLHISRRALT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-4-unsubstituted benzenoids
  • alpha-hydrogen aldehydes
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organic oxides
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • 1-hydroxy-2-unsubstituted benzenoid
  • aldehyde
  • 1-hydroxy-4-unsubstituted benzenoid
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • alpha-hydrogen aldehyde
  • hydrocarbon derivative
  • organooxygen compound