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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:21:15 UTC
Update Date2025-03-21 18:36:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00113383
Frequency23.4
Structure
Chemical FormulaC39H42N4O6
Molecular Mass662.3104
SMILESCC1=C(CCC(=O)O)C2=NC1=Cc1[nH]c(c(CCC(=O)O)c1C)C=C1N=C(C=c3[nH]c4c(c3C)CCC(C)C(=C2)C=4)C(CCC(=O)O)=C1C
InChI KeyAWFKEZKQMRULOK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrapyrroles and derivatives
Subclass metallotetrapyrroles
Direct Parent metallotetrapyrroles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • tricarboxylic acids and derivatives
    • Substituents
  • carbonyl group
  • carboxylic acid
  • azacycle
  • heteroaromatic compound
  • tricarboxylic acid or derivatives
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • metallotetrapyrrole skeleton
  • organooxygen compound