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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:29 UTC
Update Date2025-03-25 00:46:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154651
Frequency0.5
Structure
Chemical FormulaC19H16O10S
Molecular Mass436.0464
SMILESCOc1ccc(C2Oc3c(c4ccc(OS(=O)(=O)O)cc4oc3=O)CC2O)cc1O
InChI KeyPWKOUHBDAIQUSC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcoumarins and derivatives
Subclass coumarins and derivatives
Direct Parent coumarins and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • arylsulfates
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactones
  • methoxybenzenes
  • methoxyphenols
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • pyranones and derivatives
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • ether
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • lactone
  • organic oxide
  • aromatic heteropolycyclic compound
  • pyranone
  • arylsulfate
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • organic sulfuric acid or derivatives
  • heteroaromatic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • coumarin
  • oxacycle
  • organic oxygen compound
  • pyran
  • anisole
  • secondary alcohol
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound