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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:42 UTC
Update Date2025-03-25 00:47:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02161759
Frequency0.5
Structure
Chemical FormulaC17H19FN2O3S
Molecular Mass350.11
SMILESNCCCC1(c2ccc(F)cc2)COc2ccc(S(N)(=O)=O)cc21
InChI KeyJBBSLJHFZLTXEN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classcoumarans
Subclass 1-phenylcoumarans
Direct Parent 1-phenylcoumarans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • aminosulfonyl compounds
  • aryl fluorides
  • fluorobenzenes
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfonamides
  • oxacyclic compounds
  • phenylbutylamines
    • Substituents
  • aryl fluoride
  • organosulfonic acid or derivatives
  • monocyclic benzene moiety
  • ether
  • alkyl aryl ether
  • organosulfur compound
  • organohalogen compound
  • organosulfonic acid amide
  • fluorobenzene
  • organic oxide
  • phenylbutylamine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 1-phenylcoumaran
  • aminosulfonyl compound
  • organofluoride
  • aryl halide
  • oxacycle
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • halobenzene
  • organooxygen compound