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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:01:43 UTC
Update Date2025-03-21 18:06:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00066257
Frequency46.1
Structure
Chemical FormulaC13H16O9
Molecular Mass316.0794
SMILESCOc1cc(C(=O)O)ccc1OC1OC(O)C(O)C(O)C1O
InChI KeyKQEBYAIBUTWOPI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classtannins
Subclass hydrolyzable tannins
Direct Parent hydrolyzable tannins
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • alkyl aryl ethers
  • anisoles
  • benzoic acids
  • benzoyl derivatives
  • carboxylic acids
  • hemiacetals
  • hydrocarbon derivatives
  • m-methoxybenzoic acids and derivatives
  • methoxybenzenes
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • secondary alcohols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • benzoyl
  • monosaccharide
  • alkyl aryl ether
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • acetal
  • hemiacetal
  • benzoic acid
  • m-methoxybenzoic acid or derivatives
  • oxane
  • organoheterocyclic compound
  • hydrolyzable tannin
  • alcohol
  • benzoic acid or derivatives
  • methoxybenzene
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound