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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:20 UTC
Update Date2025-03-25 00:47:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02158729
Frequency0.5
Structure
Chemical FormulaC15H13NO4
Molecular Mass271.0845
SMILESOC1=NCC1(c1ccc(O)cc1)c1ccc(O)c(O)c1
InChI KeyKPAKVHYZFIWXNH-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
  • 1-hydroxy-4-unsubstituted benzenoids
  • azacyclic compounds
  • cyclic carboximidic acids
  • hydrocarbon derivatives
  • lactims
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • diphenylmethane
  • aromatic heteromonocyclic compound
  • azacycle
  • 1-hydroxy-2-unsubstituted benzenoid
  • organic 1,3-dipolar compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • propargyl-type 1,3-dipolar organic compound
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • organic nitrogen compound
  • lactim
  • cyclic carboximidic acid
  • organoheterocyclic compound
  • organooxygen compound