Hmdb loader

Showing information for DMID02186813

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:38 UTC
Update Date2025-03-25 00:51:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02186813
Frequency0.5
Structure
Chemical FormulaC9H12N2O3S
Molecular Mass228.0569
SMILESNCCSCc1ccc(O)c([N+](=O)[O-])c1
InChI KeySPVKWMYWJQOQOK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass nitrophenols
Direct Parent nitrophenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • dialkylthioethers
  • hydrocarbon derivatives
  • monoalkylamines
  • nitroaromatic compounds
  • nitrobenzenes
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • sulfenyl compounds
    • Substituents
  • monocyclic benzene moiety
  • allyl-type 1,3-dipolar organic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • organosulfur compound
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • organic oxoazanium
  • nitrophenol
  • nitrobenzene
  • nitroaromatic compound
  • sulfenyl compound
  • dialkylthioether
  • organic 1,3-dipolar compound
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • thioether
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound
  • organic hyponitrite