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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:52:40 UTC
Update Date2025-03-21 18:03:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00044974
Frequency75.0
Structure
Chemical FormulaC21H22O9
Molecular Mass418.1264
SMILESCOc1cc(CC(OC(=O)C=Cc2cc(OC)c(O)c(OC)c2)C(=O)O)ccc1O
InChI KeyJIXNZMXMRSHXEX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcinnamic acids and derivatives
Subclass hydroxycinnamic acids and derivatives
Direct Parent hydroxycinnamic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • dimethoxybenzenes
  • enoate esters
  • fatty acid esters
  • hydrocarbon derivatives
  • methoxyphenols
  • organic oxides
  • phenoxy compounds
  • phenylpropanoic acids
    • Substituents
  • fatty acyl
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • carboxylic acid derivative
  • dimethoxybenzene
  • alpha,beta-unsaturated carboxylic ester
  • organic oxide
  • enoate ester
  • methoxybenzene
  • hydroxycinnamic acid
  • aromatic homomonocyclic compound
  • fatty acid ester
  • organic oxygen compound
  • m-dimethoxybenzene
  • anisole
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound