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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:58 UTC
Update Date2025-03-25 00:52:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02196528
Frequency0.5
Structure
Chemical FormulaC27H35N3O6
Molecular Mass497.2526
SMILESCCC1=C(C)C(=O)NC1Cc1[nH]c(Cc2[nH]c(CCC(=O)O)c(C)c2C(C)=O)c(CCC(=O)O)c1C
InChI KeySPFQGIBWQLJRMZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent aryl alkyl ketones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • pyrrolines
  • secondary carboxylic acid amides
  • vinylogous amides
    • Substituents
  • lactam
  • carboxylic acid
  • aryl alkyl ketone
  • aromatic heteromonocyclic compound
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • secondary carboxylic acid amide
  • pyrroline
  • pyrrole
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound