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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:35 UTC
Update Date2025-03-25 00:47:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163774
Frequency0.5
Structure
Chemical FormulaC17H18O7S
Molecular Mass366.0773
SMILESCC1(C)Oc2cc(OS(=O)(=O)O)ccc2C(c2ccc(O)cc2)C1O
InChI KeyHUTVPWFKRRZBHN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classneoflavonoids
Subclass neoflavans
Direct Parent neoflavans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 2,2-dimethyl-1-benzopyrans
  • alkyl aryl ethers
  • arylsulfates
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • neoflavan
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • ether
  • 1-benzopyran
  • 2,2-dimethyl-1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • organic oxide
  • aromatic heteropolycyclic compound
  • chromane
  • arylsulfate
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • organic sulfuric acid or derivatives
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • sulfuric acid ester
  • organooxygen compound