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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:30 UTC
Update Date2025-03-21 18:39:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00125831
Frequency20.4
Structure
Chemical FormulaC15H14O6S
Molecular Mass322.0511
SMILESCOc1ccc(C2Cc3c(O)cc(S(=O)O)cc3O2)cc1O
InChI KeyNNIPCPMIWPEREQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Class2-arylbenzofuran flavonoids
Subclass 2-arylbenzofuran flavonoids
Direct Parent 2-arylbenzofuran flavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • coumarans
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • organic oxides
  • organosulfur compounds
  • oxacyclic compounds
  • phenoxy compounds
  • sulfinic acids
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 2-arylbenzofuran flavonoid
  • sulfinic acid derivative
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • organosulfur compound
  • sulfinic acid
  • organic oxide
  • aromatic heteropolycyclic compound
  • organoheterocyclic compound
  • coumaran
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • oxacycle
  • organic oxygen compound
  • anisole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound