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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:11 UTC
Update Date2025-03-25 00:46:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156227
Frequency0.5
Structure
Chemical FormulaC29H43N3O5
Molecular Mass513.3203
SMILESCc1c(CC2CCCN2C)[nH]c(Cc2[nH]c(CC3CCC(O)C3)c(CCC(=O)O)c2C)c1CCC(=O)O
InChI KeyXIFVONCGSSPSKH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclopentanols
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • cyclic alcohols and derivatives
  • dicarboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organic oxides
  • organopnictogen compounds
  • pyrroles
  • trialkylamines
    • Substituents
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • amino acid
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • tertiary amine
  • organoheterocyclic compound
  • azacycle
  • n-alkylpyrrolidine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • cyclic alcohol
  • cyclopentanol
  • pyrrole
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine