Hmdb loader

Showing information for DMID02247943

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:22 UTC
Update Date2025-03-25 01:01:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02247943
Frequency0.5
Structure
Chemical FormulaC10H11NO7S
Molecular Mass289.0256
SMILESCC(=O)Nc1cc(C(C)=O)c(OS(=O)(=O)O)cc1O
InChI KeyHVSLPYZJCGBBAN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetamides
  • acetanilides
  • acetophenones
  • aryl alkyl ketones
  • benzoyl derivatives
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • n-acetylarylamines
  • organic oxides
  • organopnictogen compounds
  • phenoxy compounds
  • phenylsulfates
  • secondary carboxylic acid amides
  • sulfuric acid monoesters
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • aryl alkyl ketone
  • n-acetylarylamine
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • n-arylamide
  • carboxylic acid derivative
  • phenylsulfate
  • organic oxide
  • organonitrogen compound
  • acetophenone
  • organopnictogen compound
  • arylsulfate
  • acetamide
  • organic sulfuric acid or derivatives
  • acetanilide
  • carboxamide group
  • aromatic homomonocyclic compound
  • anilide
  • secondary carboxylic acid amide
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • sulfuric acid ester
  • alkyl-phenylketone