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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:06:13 UTC
Update Date2025-03-21 18:29:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00077093
Frequency38.1
Structure
Chemical FormulaC14H18O9
Molecular Mass330.0951
SMILESCOc1cc(C(=O)OCC2OC(O)C(O)C(O)C2O)ccc1O
InChI KeyVLDUXRGYOUFMGC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classtannins
Subclass hydrolyzable tannins
Direct Parent hydrolyzable tannins
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • benzoyl derivatives
  • carboxylic acid esters
  • hemiacetals
  • hydrocarbon derivatives
  • m-methoxybenzoic acids and derivatives
  • methoxybenzenes
  • methoxyphenols
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • secondary alcohols
  • p-hydroxybenzoic acid alkyl esters
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • p-hydroxybenzoic acid ester
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • monosaccharide
  • benzoate ester
  • alkyl aryl ether
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • hemiacetal
  • m-methoxybenzoic acid or derivatives
  • oxane
  • organoheterocyclic compound
  • hydrolyzable tannin
  • alcohol
  • benzoic acid or derivatives
  • methoxybenzene
  • p-hydroxybenzoic acid alkyl ester
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound