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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:42 UTC
Update Date2025-03-25 00:54:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02207402
Frequency0.5
Structure
Chemical FormulaC14H11NO3S
Molecular Mass273.046
SMILESNc1cc2c(S(=O)(=O)O)cccc2c2ccccc12
InChI KeyLWFOMUQRTVRMPY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenanthrenes and derivatives
Subclass phenanthrenes and derivatives
Direct Parent phenanthrenes and derivatives
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-naphthalene sulfonates
  • 1-naphthalene sulfonic acids and derivatives
  • 1-sulfo,2-unsubstituted aromatic compounds
  • arylsulfonic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • organosulfonic acids
  • primary amines
  • sulfonyls
    • Substituents
  • naphthalene sulfonic acid or derivatives
  • organosulfonic acid or derivatives
  • phenanthrene
  • 1-sulfo,2-unsubstituted aromatic compound
  • organosulfonic acid
  • aromatic homopolycyclic compound
  • organosulfur compound
  • 1-naphthalene sulfonic acid or derivatives
  • 1-naphthalene sulfonate
  • organic oxide
  • sulfonyl
  • naphthalene
  • arylsulfonic acid or derivatives
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • naphthalene sulfonate
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine