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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:05 UTC
Update Date2025-03-25 00:50:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178735
Frequency0.5
Structure
Chemical FormulaC17H19NO7S
Molecular Mass381.0882
SMILESCNS(=O)(=O)c1cc(O)cc2c1CC(O)C(c1ccc(O)c(OC)c1)O2
InChI KeyOFPXCIVFGVNNDQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass o-methylated flavonoids
Direct Parent 3'-o-methylated flavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 3-hydroxyflavonoids
  • 4'-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • alkyl aryl ethers
  • aminosulfonyl compounds
  • anisoles
  • flavan-3-ols
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfonamides
  • oxacyclic compounds
  • phenoxy compounds
  • secondary alcohols
    • Substituents
  • phenol ether
  • organosulfonic acid or derivatives
  • monocyclic benzene moiety
  • 3-hydroxyflavonoid
  • ether
  • 1-benzopyran
  • flavan
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • organosulfur compound
  • organosulfonic acid amide
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • chromane
  • flavan-3-ol
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • aminosulfonyl compound
  • methoxybenzene
  • 3p-methoxyflavonoid-skeleton
  • oxacycle
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • anisole
  • 7-hydroxyflavonoid
  • secondary alcohol
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound