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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:35 UTC
Update Date2025-03-25 00:57:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02223517
Frequency0.5
Structure
Chemical FormulaC10H11NO3
Molecular Mass193.0739
SMILESNC(=O)CC(=O)C(O)c1ccccc1
InChI KeyGESSEWNDCSHTFH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzene and substituted derivatives
Direct Parent benzene and substituted derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • acyloins
  • alpha-hydroxy ketones
  • aromatic alcohols
  • carboxylic acids and derivatives
  • fatty amides
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • primary carboxylic acid amides
  • secondary alcohols
  • Substituents
  • aromatic alcohol
  • primary carboxylic acid amide
  • alcohol
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • fatty amide
  • carboxamide group
  • alpha-hydroxy ketone
  • carboxylic acid derivative
  • ketone
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • acyloin
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound