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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:25 UTC
Update Date2025-03-25 00:54:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02206741
Frequency0.5
Structure
Chemical FormulaC11H12O5
Molecular Mass224.0685
SMILESO=C(CO)C(O)C=Cc1ccc(O)c(O)c1
InChI KeyONDPWCCVUCZZSD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcinnamyl alcohols
Subclass cinnamyl alcohols
Direct Parent cinnamyl alcohols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acyloins
  • alpha-hydroxy ketones
  • benzene and substituted derivatives
  • fatty alcohols
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • secondary alcohols
    • Substituents
  • alcohol
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • cinnamyl alcohol
  • 1-hydroxy-4-unsubstituted benzenoid
  • alpha-hydroxy ketone
  • ketone
  • aromatic homomonocyclic compound
  • saccharide
  • organic oxide
  • organic oxygen compound
  • fatty alcohol
  • acyloin
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound