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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:04:06 UTC
Update Date2025-03-25 00:55:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02210787
Frequency0.5
Structure
Chemical FormulaC16H19NO8
Molecular Mass353.1111
SMILESC=CCNc1ccccc1C(=O)OC1OC(C(=O)O)C(O)C(O)C1O
InChI KeyYMTHFEVLKJYSAV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent o-glucuronides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • amino acids
  • benzoic acid esters
  • benzoyl derivatives
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • phenylalkylamines
  • pyran carboxylic acids
  • secondary alcohols
  • secondary alkylarylamines
  • vinylogous amides
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • amino acid
  • benzoyl
  • o-glucuronide
  • monosaccharide
  • benzoate ester
  • carboxylic acid derivative
  • pyran carboxylic acid
  • 1-o-glucuronide
  • beta-hydroxy acid
  • organic oxide
  • acetal
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • organoheterocyclic compound
  • alcohol
  • vinylogous amide
  • pyran carboxylic acid or derivatives
  • benzoic acid or derivatives
  • hydroxy acid
  • secondary amine
  • secondary aliphatic/aromatic amine
  • oxacycle
  • pyran
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • phenylalkylamine
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine