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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:45:56 UTC
Update Date2025-03-25 00:48:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02169141
Frequency0.5
Structure
Chemical FormulaC13H21NO11
Molecular Mass367.1115
SMILESCC(=O)NC1C(O)C(O)C(CO)OC(O)C1OC(CC(=O)O)C(=O)O
InChI KeyWPZVFDIKPVIUBH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxepanes
Subclass oxepanes
Direct Parent oxepanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • dicarboxylic acids and derivatives
  • hemiacetals
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • secondary carboxylic acid amides
  • short-chain hydroxy acids and derivatives
    • Substituents
  • fatty acyl
  • carbonyl group
  • ether
  • carboxylic acid
  • short-chain hydroxy acid
  • heterocyclic fatty acid
  • fatty acid
  • carboxylic acid derivative
  • dialkyl ether
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • hydroxy fatty acid
  • primary alcohol
  • acetamide
  • alcohol
  • carboxamide group
  • oxepane
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxygen compound
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound