Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:05:21 UTC
Update Date2025-03-21 18:28:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00074987
Frequency39.5
Structure
Chemical FormulaC6H7NO3S
Molecular Mass173.0147
SMILESNc1c(O)cccc1S(=O)O
InChI KeyLRZQHTLLPSOPNX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • organosulfur compounds
  • primary amines
  • sulfinic acids
  • Substituents
  • monocyclic benzene moiety
  • sulfinic acid derivative
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • organosulfur compound
  • sulfinic acid
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound