Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:36 UTC
Update Date2025-03-25 00:48:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02170677
Frequency0.5
Structure
Chemical FormulaC38H40N4O10
Molecular Mass712.2744
SMILESCOC(=O)CCc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CCC(=O)O)c(CCC(=O)O)c4CC(=O)O)C(C)=C3CCC(=O)O
InChI KeyZXQXIRRCMDOZBD-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
  • fatty acid esters
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methyl esters
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pentacarboxylic acids and derivatives
  • pyrroles
  • Substituents
  • fatty acyl
  • carbonyl group
  • carboxylic acid
  • azacycle
  • heteroaromatic compound
  • carboxylic acid derivative
  • pentacarboxylic acid or derivatives
  • fatty acid ester
  • organic oxide
  • methyl ester
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • carboxylic acid ester
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • metallotetrapyrrole skeleton
  • organooxygen compound