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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:25 UTC
Update Date2025-03-25 00:46:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154474
Frequency0.5
Structure
Chemical FormulaC23H28N2O5
Molecular Mass412.1998
SMILESCOc1cc(CC(CO)C(Cc2ccc(O)c(OC)c2)Cn2ccnc2)ccc1O
InChI KeyOUCDYQRLAZPVON-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslignans, neolignans and related compounds
Classdibenzylbutane lignans
Subclass dibenzylbutane lignans
Direct Parent dibenzylbutane lignans
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • methoxybenzenes
  • methoxyphenols
  • n-substituted imidazoles
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • phenylbutylamines
  • primary alcohols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • dibenzylbutane lignan skeleton
  • phenylbutylamine
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • primary alcohol
  • organoheterocyclic compound
  • azole
  • n-substituted imidazole
  • alcohol
  • azacycle
  • heteroaromatic compound
  • methoxybenzene
  • organic oxygen compound
  • anisole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound