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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:54:56 UTC
Update Date2025-03-21 18:04:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00050377
Frequency65.2
Structure
Chemical FormulaC16H14N2O5
Molecular Mass314.0903
SMILESCOc1cc(C2(c3ccc(O)cc3)N=C(O)N=C2O)ccc1O
InChI KeyIARUMLMJWRSHLF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylmethanes
Direct Parent diphenylmethanes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • hydrocarbon derivatives
  • imidazoles
  • methoxybenzenes
  • methoxyphenols
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • diphenylmethane
  • phenol ether
  • ether
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • propargyl-type 1,3-dipolar organic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • azacycle
  • organic 1,3-dipolar compound
  • methoxybenzene
  • organic oxygen compound
  • anisole
  • phenol
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound