Hmdb loader

Showing information for DMID02545193

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 17:28:26 UTC
Update Date2025-03-25 01:52:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02545193
Frequency0.5
Structure
Chemical FormulaC47H48N4O20
Molecular Mass988.2862
SMILESO=C(O)CCC1=Cc2[nH]c(c(CC(=O)O)c2CCC(=O)O)C=C2N=C3N=C4C=C2C(CCC(=O)O)=C(CC(=O)O)C(C(O)CC(=O)O)=CC(=N1)C(CC(=O)O)=C(CCC(=O)O)C(O)CC4=C3CCC(=O)O
InChI KeyIPHAFMBBOYZHMH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass beta hydroxy acids and derivatives
Direct Parent beta hydroxy acids and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • ketimines
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrroles
  • secondary alcohols
    • Substituents
  • alcohol
  • ketimine
  • carbonyl group
  • carboxylic acid
  • azacycle
  • imine
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • beta-hydroxy acid
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound