Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:00 UTC
Update Date2025-03-25 00:47:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02160189
Frequency0.5
Structure
Chemical FormulaC10H9NO3S
Molecular Mass223.0303
SMILESNc1cccc2cc(S(=O)O)cc(O)c12
InChI KeyZPFPHQPNVYFOCQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthols and derivatives
Direct Parent naphthols and derivatives
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • organosulfur compounds
  • primary amines
  • sulfinic acids
  • Substituents
  • sulfinic acid derivative
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • organosulfur compound
  • sulfinic acid
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 1-naphthol
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound