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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:21 UTC
Update Date2025-03-25 00:46:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154324
Frequency0.5
Structure
Chemical FormulaC16H20O12S
Molecular Mass436.0675
SMILESCOc1cc(C=CC(=O)OC2OC(CO)C(O)C(O)C2O)ccc1OS(=O)(=O)O
InChI KeyAPTALBCNJGTHOR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcinnamic acids and derivatives
Subclass cinnamic acids and derivatives
Direct Parent cinnamic acids and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • alkyl aryl ethers
  • anisoles
  • carbonyl compounds
  • enoate esters
  • fatty acid esters
  • hydrocarbon derivatives
  • methoxybenzenes
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • phenylsulfates
  • primary alcohols
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • fatty acyl
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • sulfuric acid monoester
  • ether
  • aromatic heteromonocyclic compound
  • monosaccharide
  • alkyl aryl ether
  • carboxylic acid derivative
  • phenylsulfate
  • alpha,beta-unsaturated carboxylic ester
  • cinnamic acid or derivatives
  • saccharide
  • organic oxide
  • acetal
  • arylsulfate
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • enoate ester
  • alcohol
  • organic sulfuric acid or derivatives
  • methoxybenzene
  • oxacycle
  • fatty acid ester
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound