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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:53 UTC
Update Date2025-03-25 00:52:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02196350
Frequency0.5
Structure
Chemical FormulaC40H40N6O10
Molecular Mass764.2806
SMILESCC1=C(CCC(=O)O)c2cc3[nH]c(cc4nc(cc5nc(cc6[nH]c(cc1n2)c(C)c6CCC(=O)O)N5)C(C)=C4CCC(=O)O)c(CC(=O)O)c3CCC(=O)O
InChI KeyOHFBNRVULVVISK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrapyrroles and derivatives
Subclass metallotetrapyrroles
Direct Parent metallotetrapyrroles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organic oxides
  • organopnictogen compounds
  • pentacarboxylic acids and derivatives
  • pyrroles
  • secondary amines
  • Substituents
  • carbonyl group
  • carboxylic acid
  • azacycle
  • amino acid or derivatives
  • amino acid
  • heteroaromatic compound
  • secondary amine
  • carboxylic acid derivative
  • pentacarboxylic acid or derivatives
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • metallotetrapyrrole skeleton
  • imidolactam
  • organooxygen compound
  • amine