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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:13:31 UTC
Update Date2025-03-25 00:58:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02232171
Frequency0.5
Structure
Chemical FormulaC16H19NO3
Molecular Mass273.1365
SMILESCCC1=C(C)C(Cc2c(C)ccc(O)c2C=O)NC1=O
InChI KeyZVSDYBJGIAQMRD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent hydroxybenzaldehydes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • benzoyl derivatives
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • para cresols
  • pyrrolines
  • secondary carboxylic acid amides
  • toluenes
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • lactam
  • aromatic heteromonocyclic compound
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • organic oxide
  • p-cresol
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • azacycle
  • carboxamide group
  • secondary carboxylic acid amide
  • vinylogous acid
  • pyrroline
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • hydroxybenzaldehyde
  • toluene