Hmdb loader

Showing information for DMID02099112

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:15:40 UTC
Update Date2025-03-25 00:37:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02099112
Frequency0.6
Structure
Chemical FormulaC44H44N4O15
Molecular Mass868.2803
SMILESC=C(CCC(=O)O)C1=NC2=Cc3[nH]c(c(CCC(=O)O)c3CC(=O)O)C=C3N=C(C=c4[nH]c(c(CC(=O)O)c4CCC(=O)O)=C1)C(CCC(=O)O)=C2CC(=O)C(CCC(=O)O)=C3C
InChI KeyKQGNCDZKQVKJQX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classheteroaromatic compounds
Subclass heteroaromatic compounds
Direct Parent heteroaromatic compounds
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carboxylic acids
  • cyclic ketones
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
    • Substituents
  • carbonyl group
  • carboxylic acid
  • azacycle
  • heteroaromatic compound
  • cyclic ketone
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound