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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:38 UTC
Update Date2025-03-25 00:49:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177710
Frequency0.5
Structure
Chemical FormulaC17H18O6
Molecular Mass318.1103
SMILESCOc1cc(C2Cc3cc(O)c(OC)cc3OC2O)ccc1O
InChI KeyTWPMHIQWBPEGPO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classisoflavonoids
Subclass o-methylated isoflavonoids
Direct Parent 3'-o-methylated isoflavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 7-o-methylated isoflavonoids
  • alkyl aryl ethers
  • anisoles
  • hemiacetals
  • hydrocarbon derivatives
  • isoflavanols
  • methoxybenzenes
  • methoxyphenols
  • oxacyclic compounds
  • phenoxy compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-benzopyran
  • isoflavanol
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • 3p-methoxyisoflavonoid-skeleton
  • aromatic heteropolycyclic compound
  • chromane
  • hemiacetal
  • organoheterocyclic compound
  • isoflavan
  • benzopyran
  • methoxybenzene
  • oxacycle
  • organic oxygen compound
  • anisole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • 7-methoxyisoflavonoid-skeleton
  • organooxygen compound