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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:10 UTC
Update Date2025-03-25 00:47:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02160538
Frequency0.5
Structure
Chemical FormulaC37H38N2O6
Molecular Mass606.273
SMILESC=CC1=C(C)C2=CC3=Cc4c(CCC(=O)O)c(C)c(c(C)c4CCC(=O)O)C=C4N=C(C=C1C(C=C3)C(C)=C2CCC(=O)O)N4
InChI KeyLPSINWGXNLWPAY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass tricarboxylic acids and derivatives
Direct Parent tricarboxylic acids and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • amidines
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • imidolactams
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • carbonyl group
  • carboxylic acid
  • azacycle
  • tricarboxylic acid or derivatives
  • organic 1,3-dipolar compound
  • amidine
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • imidolactam
  • organoheterocyclic compound
  • organooxygen compound