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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:16 UTC
Update Date2025-03-25 00:51:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02185950
Frequency0.5
Structure
Chemical FormulaC13H17NO5
Molecular Mass267.1107
SMILESO=C(NC1CCC(O)C(O)C1O)c1ccccc1O
InChI KeyCQBUMFOIQAJZDZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoic acids and derivatives
Direct Parent salicylamides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzamides
  • benzoyl derivatives
  • carboxylic acids and derivatives
  • cyclitols and derivatives
  • cyclohexanols
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • vinylogous acids
  • Substituents
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • benzamide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • cyclohexanol
  • cyclitol or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • cyclic alcohol
  • carboxamide group
  • salicylamide
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • vinylogous acid
  • organic oxygen compound
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound