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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:02 UTC
Update Date2025-03-25 01:01:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249466
Frequency0.5
Structure
Chemical FormulaC18H18O6
Molecular Mass330.1103
SMILESCOc1cc(C=CC(=O)c2cc(O)c(OC)c(OC)c2)ccc1O
InChI KeyOHTMUPGCFRWNGF-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
  • dimethoxybenzenes
  • hydrocarbon derivatives
  • hydroxycinnamic acids
  • methoxyphenols
  • organic oxides
  • phenoxy compounds
    • 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
  • dimethoxybenzene
  • cinnamic acid or derivatives
  • organic oxide
  • o-dimethoxybenzene
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • hydroxycinnamic acid
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • anisole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound
  • aryl ketone