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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:46 UTC
Update Date2025-03-25 00:46:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155295
Frequency0.5
Structure
Chemical FormulaC33H40N4O6
Molecular Mass588.2948
SMILESCc1cc2[nH]c1Cc1[nH]c(c(CCC(=O)O)c1C)Cc1[nH]c(c(C)c1CCC(=O)O)Cc1[nH]c(c(CCC(=O)O)c1C)C2
InChI KeyDBHAOXWEIFTUCR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrapyrroles and derivatives
Subclass metallotetrapyrroles
Direct Parent metalloporphyrins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • porphyrins
  • pyrroles
  • tricarboxylic acids and derivatives
    • Substituents
  • carbonyl group
  • porphyrin
  • 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
  • organooxygen compound
  • metalloporphyrin