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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:03:18 UTC
Update Date2025-03-21 18:28:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00070049
Frequency43.0
Structure
Chemical FormulaC16H14O6S
Molecular Mass334.0511
SMILESCOc1ccc(C2CC(=O)c3c(O)cc(S(=O)O)cc3O2)cc1
InChI KeyRILYJEROJWZHGO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass o-methylated flavonoids
Direct Parent 4'-o-methylated flavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 5-hydroxyflavonoids
  • alkyl aryl ethers
  • anisoles
  • aryl alkyl ketones
  • chromones
  • flavanones
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic oxides
  • organosulfur compounds
  • oxacyclic compounds
  • phenoxy compounds
  • sulfinic acids
  • vinylogous acids
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • aryl alkyl ketone
  • 1-benzopyran
  • flavanone
  • flavan
  • sulfinic acid derivative
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • organosulfur compound
  • sulfinic acid
  • ketone
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • chromane
  • organoheterocyclic compound
  • benzopyran
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • oxacycle
  • vinylogous acid
  • organic oxygen compound
  • anisole
  • 4p-methoxyflavonoid-skeleton
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound
  • aryl ketone