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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:58:11 UTC
Update Date2025-03-25 00:52:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02197015
Frequency0.5
Structure
Chemical FormulaC34H51N3O7
Molecular Mass613.3727
SMILESCCC1C(C)C(Cc2[nH]c(Cc3[nH]c(CC4CCCN4C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)OC(C(=O)O)C1C
InChI KeyFNTUHTNUIRLMRK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent c-glucuronides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • pyrroles
  • trialkylamines
  • tricarboxylic acids and derivatives
    • Substituents
  • carbonyl group
  • ether
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • amino acid
  • tricarboxylic acid or derivatives
  • carboxylic acid derivative
  • pyran carboxylic acid
  • dialkyl ether
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • pyrrolidine
  • tertiary amine
  • organoheterocyclic compound
  • c-glucuronide
  • pyran carboxylic acid or derivatives
  • azacycle
  • n-alkylpyrrolidine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • oxacycle
  • pyran
  • pyrrole
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine