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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:57 UTC
Update Date2025-03-25 00:57:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02226529
Frequency0.5
Structure
Chemical FormulaC17H18O5
Molecular Mass302.1154
SMILESCC(c1ccc(O)cc1)C(Cc1ccc(O)c(O)c1)C(=O)O
InChI KeySEGNJVXDYVAXGW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classlinear 1,3-diarylpropanoids
Subclass cinnamylphenols
Direct Parent cinnamylphenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenylpropanoic acids
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • cinnamylphenol
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound