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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:14 UTC
Update Date2025-03-25 00:54:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204079
Frequency0.5
Structure
Chemical FormulaC39H42N4O7
Molecular Mass678.3054
SMILESC=C(C)C(=O)CCC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3CCC(=O)O
InChI KeyBUINAECBHXNPJW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrapyrroles and derivatives
Subclass metallotetrapyrroles
Direct Parent metallotetrapyrroles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acryloyl compounds
  • alpha-branched alpha,beta-unsaturated ketones
  • azacyclic compounds
  • carboxylic acids
  • enones
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • tricarboxylic acids and derivatives
    • Substituents
  • alpha-branched alpha,beta-unsaturated-ketone
  • carbonyl group
  • carboxylic acid
  • azacycle
  • heteroaromatic compound
  • tricarboxylic acid or derivatives
  • alpha,beta-unsaturated ketone
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • acryloyl-group
  • organic nitrogen compound
  • metallotetrapyrrole skeleton
  • organooxygen compound
  • enone