Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:09:48 UTC
Update Date2025-03-24 20:11:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01370910
Frequency1.0
Structure
Chemical FormulaC48H46N4O18
Molecular Mass966.2807
SMILESO=C(O)CCC1=C(CC(=O)O)CC2=C(CCC(=O)O)C3=NC2=Cc2[nH]c(c(CC(=O)O)c2CCC(=O)O)C=C1C=C1N=C(C=c2[nH]c(c(CC(=O)O)c2CCC(=O)O)=C3)C(CC(=O)O)=C1CCC(=O)O
InChI KeyQZRXVKAASBGRIT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrapyrroles and derivatives
Subclass metallotetrapyrroles
Direct Parent metallotetrapyrroles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • Substituents
  • carbonyl group
  • carboxylic acid
  • azacycle
  • heteroaromatic compound
  • 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