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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:01 UTC
Update Date2025-03-25 01:01:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249447
Frequency0.5
Structure
Chemical FormulaC22H20O6
Molecular Mass380.126
SMILESCOc1cc(C2CC(c3ccc(O)c(O)c3)Oc3cc(O)ccc32)ccc1O
InChI KeyKWFSWAXGOWPKMX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass hydroxyflavonoids
Direct Parent 3'-hydroxyflavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 4'-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • alkyl aryl ethers
  • anisoles
  • flavans
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • neoflavans
  • oxacyclic compounds
  • phenoxy compounds
    • Substituents
  • neoflavan
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-benzopyran
  • flavan
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • chromane
  • neoflavonoid skeleton
  • organoheterocyclic compound
  • benzopyran
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • 3'-hydroxyflavonoid
  • oxacycle
  • organic oxygen compound
  • anisole
  • 7-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound