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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:52 UTC
Update Date2025-03-25 00:49:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171272
Frequency0.5
Structure
Chemical FormulaC16H14O10S
Molecular Mass398.0308
SMILESCOc1cc(C2CC(=O)c3c(cc(O)c(O)c3OS(=O)(=O)O)O2)ccc1O
InChI KeyNZRLBHHSTCSMHU-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-hydroxy-2-unsubstituted benzenoids
  • 4'-hydroxyflavonoids
  • 6-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • alkyl aryl ethers
  • anisoles
  • aryl alkyl ketones
  • arylsulfates
  • chromones
  • flavanones
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • sulfuric acid monoesters
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • ether
  • aryl alkyl ketone
  • 1-benzopyran
  • flavanone
  • flavan
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • ketone
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • chromane
  • arylsulfate
  • organoheterocyclic compound
  • benzopyran
  • organic sulfuric acid or derivatives
  • 6-hydroxyflavonoid
  • methoxybenzene
  • 3p-methoxyflavonoid-skeleton
  • oxacycle
  • organic oxygen compound
  • anisole
  • 7-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound
  • aryl ketone