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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:08:09 UTC
Update Date2025-03-21 23:08:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00646602
Frequency2.5
Structure
Chemical FormulaC48H48N4O16
Molecular Mass936.3065
SMILESCC1=C(CCC(=O)O)C2=Nc3cc4[nH]c(cc5nc(cc(c(c3CCC(=O)O)CC1)C=c1[nH]c(c(CCC(=O)O)c1CC(=O)O)=C2)C(CCC(=O)O)=C5CC(=O)O)c(CC(=O)O)c4CCC(=O)O
InChI KeyPQWKBLTVMHLQOL-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
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • ketimines
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrroles
    • Substituents
  • ketimine
  • carbonyl group
  • carboxylic acid
  • azacycle
  • imine
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound