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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:55 UTC
Update Date2025-03-25 00:52:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02196422
Frequency0.5
Structure
Chemical FormulaC32H45N3O9
Molecular Mass615.3156
SMILESCCC1=C(C)C(=O)NC1Cc1[nH]c(Cc2[nH]c(CC3CC(O)C(O)C(O)C3O)c(CCC(=O)O)c2C)c(CCC(=O)O)c1C
InChI KeyVXQJEUUYDWKQGI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclohexanols
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • cyclitols and derivatives
  • dicarboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • pyrrolines
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • azacycle
  • heteroaromatic compound
  • cyclohexanol
  • cyclitol or derivatives
  • cyclic alcohol
  • carboxamide group
  • secondary carboxylic acid amide
  • pyrroline
  • pyrrole
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound