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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:19:51 UTC
Update Date2025-03-21 18:36:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00110014
Frequency24.3
Structure
Chemical FormulaC17H20O6
Molecular Mass320.126
SMILESCOc1cc(CC(CO)C(O)c2ccc(O)c(O)c2)ccc1O
InChI KeyZQCIKWYCLWDVMQ-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
  • anisoles
  • aromatic alcohols
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • phenoxy compounds
  • primary alcohols
  • secondary alcohols
    • Substituents
  • aromatic alcohol
  • alcohol
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • cinnamylphenol
  • 1-hydroxy-4-unsubstituted benzenoid
  • alkyl aryl ether
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • primary alcohol
  • organooxygen compound