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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:56 UTC
Update Date2025-03-25 00:53:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02201141
Frequency0.5
Structure
Chemical FormulaC14H18O12S
Molecular Mass410.0519
SMILESCOc1cc(C(=O)O)ccc1OC1OC(CO)C(OS(=O)(=O)O)C(O)C1O
InChI KeyGCNHUNRSXCLTMJ-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
  • alkyl sulfates
  • anisoles
  • benzoic acids
  • benzoyl derivatives
  • carboxylic acids
  • hydrocarbon derivatives
  • m-methoxybenzoic acids and derivatives
  • methoxybenzenes
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • primary alcohols
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • ether
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • benzoyl
  • monosaccharide
  • alkyl aryl ether
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • acetal
  • alkyl sulfate
  • benzoic acid
  • m-methoxybenzoic acid or derivatives
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • hydrolyzable tannin
  • alcohol
  • organic sulfuric acid or derivatives
  • benzoic acid or derivatives
  • methoxybenzene
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound