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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:13 UTC
Update Date2025-03-25 00:46:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156276
Frequency0.5
Structure
Chemical FormulaC14H21NO7
Molecular Mass315.1318
SMILESCc1c[nH]c(C2OC(CO)C(O)C(O)C2O)c1CCC(=O)O
InChI KeyGVSPEYHFVKZFQP-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
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • pyrroles
  • secondary alcohols
  • Substituents
  • carbonyl group
  • ether
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • monosaccharide
  • carboxylic acid derivative
  • dialkyl ether
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • azacycle
  • heteroaromatic compound
  • oxacycle
  • monocarboxylic acid or derivatives
  • pyrrole
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound