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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:41 UTC
Update Date2025-03-21 18:39:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00126278
Frequency20.3
Structure
Chemical FormulaC16H12O9S
Molecular Mass380.0202
SMILESCOc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1OS(=O)(=O)O
InChI KeyBURQKTACIREFKQ-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
  • 1-hydroxy-4-unsubstituted benzenoids
  • 5-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • alkyl aryl ethers
  • anisoles
  • chromones
  • flavonoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • phenylsulfates
  • pyranones and derivatives
  • sulfuric acid monoesters
  • vinylogous acids
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • ether
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • phenylsulfate
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • pyranone
  • arylsulfate
  • organoheterocyclic compound
  • benzopyran
  • organic sulfuric acid or derivatives
  • heteroaromatic compound
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • 3p-methoxyflavonoid-skeleton
  • oxacycle
  • vinylogous acid
  • organic oxygen compound
  • pyran
  • anisole
  • 7-hydroxyflavonoid
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound