Hmdb loader

Showing information for DMID02166719

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:51 UTC
Update Date2025-03-25 00:48:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166719
Frequency0.5
Structure
Chemical FormulaC12H11NO4S
Molecular Mass265.0409
SMILESCC(=O)Nc1c(S(=O)(=O)O)ccc2ccccc12
InChI KeyUIYQASSNWWUOPX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalene sulfonic acids and derivatives
Direct Parent 2-naphthalene sulfonates
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-sulfo,2-unsubstituted aromatic compounds
  • 2-naphthalene sulfonic acids and derivatives
  • acetamides
  • arylsulfonic acids and derivatives
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • n-acetylarylamines
  • organic oxides
  • organopnictogen compounds
  • organosulfonic acids
  • secondary carboxylic acid amides
  • sulfonyls
    • Substituents
  • organosulfonic acid or derivatives
  • carbonyl group
  • n-acetylarylamine
  • organosulfonic acid
  • n-arylamide
  • organosulfur compound
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • 2-naphthalene sulfonate
  • acetamide
  • 1-sulfo,2-unsubstituted aromatic compound
  • aromatic homopolycyclic compound
  • carboxamide group
  • 2-naphthalene sulfonic acid or derivatives
  • secondary carboxylic acid amide
  • sulfonyl
  • organic oxygen compound
  • arylsulfonic acid or derivatives
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound