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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:48:56 UTC
Update Date2025-03-24 22:22:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01175670
Frequency1.2
Structure
Chemical FormulaC46H48N4O15
Molecular Mass896.3116
SMILESCC1=C(CCC(=O)O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CC(=O)O)c5CCC(=O)O)C(C)=C4CCC(=O)C(=CCCC(=O)O)CCC(=O)O)c(CC(=O)O)c3CCC(=O)O
InChI KeyNZTNHATYRRZCFN-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
    • Substituents
  • alpha-branched alpha,beta-unsaturated-ketone
  • carbonyl group
  • carboxylic acid
  • azacycle
  • heteroaromatic compound
  • 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