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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:21 UTC
Update Date2025-03-25 00:55:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02213742
Frequency0.5
Structure
Chemical FormulaC16H17NO6S
Molecular Mass351.0777
SMILESCNC1Cc2c(O)cc(S(=O)O)cc2OC1c1ccc(O)c(O)c1
InChI KeyOVVSCGCHUWVHEZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass hydroxyflavonoids
Direct Parent 5-hydroxyflavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3'-hydroxyflavonoids
  • 4'-hydroxyflavonoids
  • alkyl aryl ethers
  • benzene and substituted derivatives
  • dialkylamines
  • flavans
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • organosulfur compounds
  • oxacyclic compounds
  • sulfinic acids
    • Substituents
  • monocyclic benzene moiety
  • ether
  • 1-benzopyran
  • flavan
  • sulfinic acid derivative
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • organosulfur compound
  • sulfinic acid
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • chromane
  • organoheterocyclic compound
  • secondary aliphatic amine
  • benzopyran
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • secondary amine
  • 3'-hydroxyflavonoid
  • oxacycle
  • organic oxygen compound
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • amine