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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:31:05 UTC
Update Date2025-03-21 18:41:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00136518
Frequency18.4
Structure
Chemical FormulaC19H21NO3
Molecular Mass311.1521
SMILESC=CC1=C(C)C(=O)NC1=Cc1ccc(C)c(CCC(=O)O)c1C
InChI KeyVVPLTLOCHXWNKA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classphenylpropanoic acids
Subclass phenylpropanoic acids
Direct Parent phenylpropanoic acids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • lactams
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolines
  • secondary carboxylic acid amides
  • m-xylenes
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • azacycle
  • 3-phenylpropanoic-acid
  • m-xylene
  • carboxamide group
  • carboxylic acid derivative
  • xylene
  • secondary carboxylic acid amide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrroline
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound