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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:15:08 UTC
Update Date2025-03-21 18:33:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00098398
Frequency28.0
Structure
Chemical FormulaC12H15NO6
Molecular Mass269.0899
SMILESO=C(O)C1OC(Nc2ccccc2)C(O)C(O)C1O
InChI KeySPTXZDAXCOTKFR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent n-glucuronides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • amino acids
  • benzene and substituted derivatives
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • phenylalkylamines
  • pyran carboxylic acids
  • secondary alcohols
  • secondary alkylarylamines
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • amino acid
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • n-glucuronide
  • beta-hydroxy acid
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • secondary amine
  • secondary aliphatic/aromatic amine
  • oxacycle
  • monocarboxylic acid or derivatives
  • pyran
  • secondary alcohol
  • phenylalkylamine
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine