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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:08 UTC
Update Date2025-03-25 00:56:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02217841
Frequency0.5
Structure
Chemical FormulaC23H24O13
Molecular Mass508.1217
SMILESCOc1cc(C=CC(=O)OC2C(O)C(CO)OC(OC(=O)c3cc(O)c(O)c(O)c3)C2O)ccc1O
InChI KeyCMGYJEQLSQRQHJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classtannins
Subclass tannins
Direct Parent tannins
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • alkyl aryl ethers
  • anisoles
  • benzoyl derivatives
  • carbonyl compounds
  • dicarboxylic acids and derivatives
  • enoate esters
  • fatty acid esters
  • hydrocarbon derivatives
  • hydroxycinnamic acids
  • methoxybenzenes
  • methoxyphenols
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • primary alcohols
  • pyrogallols and derivatives
  • secondary alcohols
  • m-hydroxybenzoic acid esters
  • p-hydroxybenzoic acid alkyl esters
    • Substituents
  • fatty acyl
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • aromatic heteromonocyclic compound
  • p-hydroxybenzoic acid ester
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • monosaccharide
  • benzoate ester
  • alkyl aryl ether
  • carboxylic acid derivative
  • hydroxycinnamic acid or derivatives
  • alpha,beta-unsaturated carboxylic ester
  • cinnamic acid or derivatives
  • saccharide
  • organic oxide
  • tannin
  • acetal
  • oxane
  • primary alcohol
  • m-hydroxybenzoic acid ester
  • organoheterocyclic compound
  • enoate ester
  • alcohol
  • pyrogallol derivative
  • benzenetriol
  • benzoic acid or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • p-hydroxybenzoic acid alkyl ester
  • hydroxycinnamic acid
  • oxacycle
  • fatty acid ester
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound