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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:33:16 UTC
Update Date2025-03-25 00:44:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02140098
Frequency0.6
Structure
Chemical FormulaC42H39N3O19
Molecular Mass889.2178
SMILESO=C(O)CCC1=C(CC(=O)O)c2cc3c(CCC(=O)O)c(CC(=O)O)c(cc4nc(cc5[nH]c(cc1n2)c(CC(=O)O)c5CC(=O)O)C(CC(=O)O)O4)c(CC(=O)O)c3CCC(=O)O
InChI KeyKFYNWAMVUSVOGC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent alkyl aryl ethers
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • pyrroles
    • Substituents
  • carbonyl group
  • carboxylic acid
  • azacycle
  • heteroaromatic compound
  • alkyl aryl ether
  • carboxylic acid derivative
  • oxacycle
  • organic oxide
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organoheterocyclic compound