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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:37 UTC
Update Date2025-03-25 00:50:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179919
Frequency0.5
Structure
Chemical FormulaC44H51N5O12
Molecular Mass841.3534
SMILESCc1c2[nH]c(c1CCC(=O)O)Cc1[nH]c(c(CCC(=O)O)c1C)Cc1[nH]c(c(CCC(=O)O)c1C)Cc1[nH]c(c(CC(=O)O)c1C(=O)O)Cc1[nH]c(c(CCC(=O)O)c1C)C2
InChI KeyYKMSNXQUWWLNAW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrapyrroles and derivatives
Subclass metallotetrapyrroles
Direct Parent metallotetrapyrroles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • azacyclic compounds
  • carbonyl compounds
  • heteroaromatic compounds
  • hexacarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrole carboxylic acids
  • vinylogous amides
    • Substituents
  • vinylogous amide
  • carbonyl group
  • carboxylic acid
  • azacycle
  • pyrrole-3-carboxylic acid or derivatives
  • heteroaromatic compound
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 1-carboxy-2-haloaromatic compound
  • organic nitrogen compound
  • metallotetrapyrrole skeleton
  • hexacarboxylic acid or derivatives
  • pyrrole-3-carboxylic acid
  • organooxygen compound