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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:11 UTC
Update Date2025-03-21 18:40:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00129891
Frequency19.6
Structure
Chemical FormulaC31H30N4O6
Molecular Mass554.2165
SMILESC=CC1=C(C)C(=CC2=NC(=Cc3[nH]c(C=C4NC(=O)C(C)=C4C=C)c(C)c3C(=O)O)C(CCC(=O)O)=C2C)NC1=O
InChI KeyIWJTUKZDGGJXGC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrapyrroles and derivatives
Subclass metallotetrapyrroles
Direct Parent metallotetrapyrroles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • azacyclic compounds
  • carbonyl compounds
  • dicarboxylic acids and derivatives
  • dipyrrins
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • ketimines
  • lactams
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrrole carboxylic acids
  • pyrrolines
  • secondary carboxylic acid amides
  • vinylogous amides
    • Substituents
  • ketimine
  • carbonyl group
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • pyrrole-3-carboxylic acid or derivatives
  • imine
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • dipyrrin
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • 1-carboxy-2-haloaromatic compound
  • metallotetrapyrrole skeleton
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyrroline
  • pyrrole
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrole-3-carboxylic acid
  • organooxygen compound