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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:04:08 UTC
Update Date2025-03-25 00:55:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02210855
Frequency0.5
Structure
Chemical FormulaC35H37N3O6
Molecular Mass595.2682
SMILESC=Cc1c(C)c2[nH]c1=CC1=Cc3[nH]c(c(CCC(=O)O)c3C)C=C3N=C(C=2)C(CCC(=O)O)=C3C(C)C(C)=C1CCC(=O)O
InChI KeyFHKDHYUFGLXPHD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrroles
Subclass substituted pyrroles
Direct Parent dipyrrins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • ketimines
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrroles
  • tricarboxylic acids and derivatives
    • Substituents
  • ketimine
  • carbonyl group
  • carboxylic acid
  • azacycle
  • imine
  • heteroaromatic compound
  • tricarboxylic acid or derivatives
  • organic 1,3-dipolar compound
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • dipyrrin
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound