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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 IDDMID02154477
Frequency0.5
Structure
Chemical FormulaC20H27NO5
Molecular Mass361.1889
SMILESCOc1cc(CC(CO)C(N)Cc2ccc(OC)c(OC)c2)ccc1O
InChI KeyYMISMXRDMSCUDV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslignans, neolignans and related compounds
ClassNot Available
Subclass lignans, neolignans and related compounds
Direct Parent lignans, neolignans and related compounds
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • dimethoxybenzenes
  • hydrocarbon derivatives
  • methoxylated amphetamines
  • methoxyphenols
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • primary alcohols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • norlignan skeleton
  • alkyl aryl ether
  • dimethoxybenzene
  • o-dimethoxybenzene
  • organonitrogen compound
  • organopnictogen compound
  • primary alcohol
  • amphetamine or derivatives
  • alcohol
  • methoxylated amphetamine
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • anisole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound