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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:25 UTC
Update Date2025-03-25 00:59:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02236526
Frequency0.5
Structure
Chemical FormulaC21H21NO4
Molecular Mass351.1471
SMILESCOc1cc(C2OCC3C(c4cc5ccccc5[nH]4)OCC23)ccc1O
InChI KeyHKNORVRAOCQPGK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • dialkyl ethers
  • furofurans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • indoles
  • methoxybenzenes
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • phenoxy compounds
  • pyrroles
  • tetrahydrofurans
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • indole
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • dialkyl ether
  • aromatic heteropolycyclic compound
  • furofuran
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • indole or derivatives
  • methoxybenzene
  • oxacycle
  • organic oxygen compound
  • anisole
  • pyrrole
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound