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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:57 UTC
Update Date2025-03-25 00:52:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02196487
Frequency0.5
Structure
Chemical FormulaC25H30N2O3
Molecular Mass406.2256
SMILESCCC1=C(C)C(CC2=NC(=Cc3cccc(C)c3C)C(CCC(=O)O)=C2C)NC1=O
InChI KeyCBUPWBGEYDHXJD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass xylenes
Direct Parent o-xylenes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • ketimines
  • lactams
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrrolines
  • secondary carboxylic acid amides
    • Substituents
  • ketimine
  • carbonyl group
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • imine
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • azacycle
  • organic 1,3-dipolar compound
  • carboxamide group
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • o-xylene
  • organic oxygen compound
  • pyrroline
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound