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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:55:28 UTC
Update Date2025-03-25 00:52:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02190939
Frequency0.5
Structure
Chemical FormulaC32H43N3O8
Molecular Mass597.305
SMILESC=CC1=C(C)C(Cc2[nH]c(Cc3[nH]c(CC4CC(O)C(O)C(C)O4)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O
InChI KeyMIIDFMVKQAINBZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • dicarboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • pyrroles
  • pyrrolines
  • secondary alcohols
  • secondary carboxylic acid amides
  • Substituents
  • carbonyl group
  • ether
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • monosaccharide
  • carboxylic acid derivative
  • dialkyl ether
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • organoheterocyclic compound
  • 1,2-diol
  • alcohol
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • pyrroline
  • pyrrole
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound