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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:42:45 UTC
Update Date2025-03-25 01:09:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02298910
Frequency0.5
Structure
Chemical FormulaC50H60N6O9
Molecular Mass888.4422
SMILESC=CC1=C(C)C(Cc2c3[nH]c(c2C)Cc2[nH]c(c(C)c2CCC(=O)O)Cc2[nH]c(c(C)c2CCC(=O)O)Cc2[nH]c(c(C)c2CCC(=O)O)Cc2[nH]c(c(C)c2CCC(=O)O)C3)NC1=O
InChI KeyBQWPXHVNGIXDOB-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
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • pyrrolines
  • secondary carboxylic acid amides
  • tetracarboxylic acids and derivatives
    • Substituents
  • carbonyl group
  • lactam
  • carboxylic acid
  • azacycle
  • heteroaromatic compound
  • tetracarboxylic acid or derivatives
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • pyrroline
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • metallotetrapyrrole skeleton
  • organooxygen compound