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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:27 UTC
Update Date2025-03-25 00:48:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02165780
Frequency0.5
Structure
Chemical FormulaC18H17NO3
Molecular Mass295.1208
SMILESCC1=NC(C(=O)O)CC1(c1ccccc1)c1ccc(O)cc1
InChI KeyRAWRHFRFZWZTDX-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
  • alpha amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • ketimines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • phenylpyrrolines
  • propargyl-type 1,3-dipolar organic compounds
  • pyrroles
  • pyrroline 2-carboxylic acids
    • Substituents
  • diphenylmethane
  • ketimine
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • imine
  • 3-phenylpyrroline
  • 1-hydroxy-2-unsubstituted benzenoid
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • organoheterocyclic compound
  • azacycle
  • pyrroline carboxylic acid or derivatives
  • organic 1,3-dipolar compound
  • pyrroline 2-carboxylic acid
  • monocarboxylic acid or derivatives
  • pyrroline
  • organic oxygen compound
  • pyrroline carboxylic acid
  • pyrrole
  • phenol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound