Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:04:02 UTC
Update Date2025-03-24 20:35:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01499239
Frequency0.9
Structure
Chemical FormulaC47H45N5O18
Molecular Mass967.276
SMILESO=C(O)CCC1=C(CC(=O)O)c2cc3[nH]c(cc4c(CCC(=O)O)c(cc5nc(cc6[nH]c(cc1n2)c(CCC(=O)O)c6CC(=O)O)C(CC(=O)O)=C5CCC(=O)O)N4)c(CC(=O)O)c3CCC(=O)O
InChI KeyGWPOISFVJKEFHI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrapyrroles and derivatives
Subclass metallotetrapyrroles
Direct Parent metallotetrapyrroles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • pyrroles
  • secondary amines
  • Substituents
  • carbonyl group
  • carboxylic acid
  • azacycle
  • amino acid or derivatives
  • amino acid
  • heteroaromatic compound
  • secondary amine
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • metallotetrapyrrole skeleton
  • organooxygen compound
  • amine