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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:44 UTC
Update Date2025-03-25 00:51:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02187038
Frequency0.5
Structure
Chemical FormulaC19H23NO3
Molecular Mass313.1678
SMILESCC(C(=O)O)c1cccc(C(CCCN)c2ccc(O)cc2)c1
InChI KeyIRTZFVYSTPINFS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylmethanes
Direct Parent diphenylmethanes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenylbutylamines
  • phenylpropanoic acids
  • Substituents
  • diphenylmethane
  • carbonyl group
  • carboxylic acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • phenylbutylamine
  • organic oxygen compound
  • 2-phenylpropanoic-acid
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound