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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:48 UTC
Update Date2025-03-25 00:48:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171115
Frequency0.5
Structure
Chemical FormulaC14H16O9
Molecular Mass328.0794
SMILESCOc1cc(C(=O)O)ccc1OC1C(=O)OC(CO)C(O)C1O
InChI KeyFOXWZSZIWRWRDE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classtannins
Subclass hydrolyzable tannins
Direct Parent hydrolyzable tannins
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • benzoic acids
  • benzoyl derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • delta valerolactones
  • dicarboxylic acids and derivatives
  • gluconolactones
  • hydrocarbon derivatives
  • m-methoxybenzoic acids and derivatives
  • methoxybenzenes
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • primary alcohols
  • secondary alcohols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • delta valerolactone
  • benzoyl
  • monosaccharide
  • alkyl aryl ether
  • carboxylic acid derivative
  • lactone
  • saccharide
  • organic oxide
  • gluconolactone
  • benzoic acid
  • m-methoxybenzoic acid or derivatives
  • oxane
  • primary alcohol
  • delta_valerolactone
  • organoheterocyclic compound
  • hydrolyzable tannin
  • alcohol
  • benzoic acid or derivatives
  • methoxybenzene
  • oxacycle
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound