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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:39 UTC
Update Date2025-03-25 00:53:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02200472
Frequency0.5
Structure
Chemical FormulaC18H16O6
Molecular Mass328.0947
SMILESCOc1ccc(C2c3cc4c(cc3OC(=O)C2C)OCO4)cc1O
InChI KeyGWNIXYPIZGLGFN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classneoflavonoids
Subclass neoflavans
Direct Parent neoflavans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3,4-dihydrocoumarins
  • acetals
  • alkyl aryl ethers
  • anisoles
  • benzodioxoles
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • lactones
  • methoxybenzenes
  • methoxyphenols
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
    • Substituents
  • neoflavan
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • carboxylic acid derivative
  • lactone
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • chromane
  • organoheterocyclic compound
  • benzodioxole
  • benzopyran
  • 3,4-dihydrocoumarin
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound