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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:55:27 UTC
Update Date2025-03-25 00:52:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02190898
Frequency0.5
Structure
Chemical FormulaC22H25NO4
Molecular Mass367.1784
SMILESC=CC1=C(C)C(=Cc2c(C)c(CCC(=O)O)c(C)c(C(C)=O)c2C)NC1=O
InChI KeyPUUOJMCCPPICCV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetophenones
  • aryl alkyl ketones
  • azacyclic compounds
  • benzoyl derivatives
  • carboxylic acids
  • hydrocarbon derivatives
  • lactams
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenylpropanoic acids
  • pyrrolines
  • secondary carboxylic acid amides
    • Substituents
  • monocyclic benzene moiety
  • lactam
  • carboxylic acid
  • aryl alkyl ketone
  • aromatic heteromonocyclic compound
  • 3-phenylpropanoic-acid
  • benzoyl
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • acetophenone
  • organopnictogen compound
  • organoheterocyclic compound
  • azacycle
  • carboxamide group
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • pyrroline
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • alkyl-phenylketone