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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:26 UTC
Update Date2025-03-21 18:38:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00123334
Frequency20.9
Structure
Chemical FormulaC17H16O5
Molecular Mass300.0998
SMILESCOc1ccc(C(=O)C=Cc2ccc(O)c(OC)c2)c(O)c1
InChI KeyLGNRDVBCONJYPE-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
  • alkyl aryl ethers
  • alpha,beta-unsaturated ketones
  • anisoles
  • aryl ketones
  • benzoyl derivatives
  • hydrocarbon derivatives
  • hydroxycinnamic acids
  • methoxybenzenes
  • methoxyphenols
  • organic oxides
  • phenoxy compounds
  • vinylogous acids
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • methoxyphenol
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • cinnamylphenol
  • alkyl aryl ether
  • alpha,beta-unsaturated ketone
  • hydroxycinnamic acid or derivatives
  • ketone
  • cinnamic acid or derivatives
  • organic oxide
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • hydroxycinnamic acid
  • aromatic homomonocyclic compound
  • vinylogous acid
  • organic oxygen compound
  • anisole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound
  • aryl ketone