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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:14 UTC
Update Date2025-03-25 00:57:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02222740
Frequency0.5
Structure
Chemical FormulaC5H5NO3S
Molecular Mass158.999
SMILESO=[N+]([O-])c1ccc(CO)s1
InChI KeyQYNOWSBTIMNUDS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiophenes
Subclass nitrothiophenes
Direct Parent 2-nitrothiophenes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2,5-disubstituted thiophenes
  • aromatic alcohols
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • nitroaromatic compounds
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aromatic alcohol
  • aromatic heteromonocyclic compound
  • allyl-type 1,3-dipolar organic compound
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • c-nitro compound
  • organonitrogen compound
  • 2-nitrothiophene
  • organopnictogen compound
  • organic oxoazanium
  • nitroaromatic compound
  • 2,5-disubstituted thiophene
  • alcohol
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • organic hyponitrite