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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:39 UTC
Update Date2025-03-25 00:50:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179986
Frequency0.5
Structure
Chemical FormulaC40H40N4O15
Molecular Mass816.249
SMILESCc1c(CCC(=O)O)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)C(CC(=O)O)=C5CCC(=O)O)c(CCC(=O)O)c4CC(O)C(=O)O)C(CC(=O)O)=C3CCC(=O)O
InChI KeyFOSFNKZOFZVRHQ-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
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • secondary alcohols
  • Substituents
  • alcohol
  • carbonyl group
  • carboxylic acid
  • azacycle
  • alpha-hydroxy acid
  • heteroaromatic compound
  • hydroxy acid
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • metallotetrapyrrole skeleton
  • organooxygen compound