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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:33 UTC
Update Date2025-03-25 00:52:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02195606
Frequency0.5
Structure
Chemical FormulaC17H16O7
Molecular Mass332.0896
SMILESCC1c2c(O)cc(O)cc2OCC1C(=O)c1c(O)cc(O)cc1O
InChI KeyQJPWVIFTGAGRDY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classhomoisoflavonoids
Subclass homoisoflavans
Direct Parent homoisoflavans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acylphloroglucinols and derivatives
  • alkyl aryl ethers
  • alkyl-phenylketones
  • aryl alkyl ketones
  • benzoyl derivatives
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • ether
  • aryl alkyl ketone
  • 1-benzopyran
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • ketone
  • phloroglucinol derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • homoisoflavan
  • chromane
  • organoheterocyclic compound
  • acylphloroglucinol derivative
  • benzopyran
  • benzenetriol
  • 1-hydroxy-4-unsubstituted benzenoid
  • phenylketone
  • oxacycle
  • vinylogous acid
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • alkyl-phenylketone
  • organooxygen compound
  • aryl ketone