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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:31 UTC
Update Date2025-03-25 00:54:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02209367
Frequency0.5
Structure
Chemical FormulaC40H40N4O15
Molecular Mass816.249
SMILESCC1=C(CCC(=O)O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CCC(O)C(=O)O)c5CC(=O)O)C(CC(=O)O)=C4CCC(=O)O)c(CCC(=O)O)c3CC(=O)O
InChI KeyAJXXGKICAWLMOF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrapyrroles and derivatives
Subclass metallotetrapyrroles
Direct Parent metallotetrapyrroles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alpha hydroxy acids and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • secondary alcohols
    • Substituents
  • alcohol
  • carbonyl group
  • carboxylic acid
  • azacycle
  • alpha-hydroxy acid
  • heteroaromatic compound
  • monosaccharide
  • hydroxy acid
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • metallotetrapyrrole skeleton
  • organooxygen compound