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Record Information
HMDB Statuspredicted
Creation Date2024-02-20 23:49:20 UTC
Update Date2025-03-21 18:02:12 UTC
HMDB IDHMDB0141765
Metabolite Identification
DeepMet IDDMID00036969
Name4-[(1E)-3-hydroxyprop-1-en-1-yl]benzene-1,2-diol
Frequency95.4
Structure
Chemical FormulaC9H10O3
Molecular Mass166.063
SMILESOCC=Cc1ccc(O)c(O)c1
InChI KeyZCKDCRKBURQZPT-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
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • primary alcohols
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • cinnamyl alcohol
  • 1-hydroxy-4-unsubstituted benzenoid
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • primary alcohol
  • organooxygen compound