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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:56 UTC
Update Date2025-03-25 01:01:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249228
Frequency0.5
Structure
Chemical FormulaC18H15NO4
Molecular Mass309.1001
SMILESCOc1cc(-n2ccc(=O)cc2-c2ccc(O)cc2)ccc1O
InChI KeyWEXXNGLFHJJVBQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 2-halopyridines
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • cyclic ketones
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methoxybenzenes
  • methylpyridines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • vinylogous amides
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • cyclic ketone
  • alkyl aryl ether
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • organoheterocyclic compound
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • methylpyridine
  • methoxybenzene
  • pyridine
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound