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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:43:02 UTC
Update Date2025-03-21 17:59:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00022096
Frequency179.9
Structure
Chemical FormulaC15H24N4O2S
Molecular Mass324.162
SMILESCNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)cc1
InChI KeyLHXMCVMXQMIFSN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylmethylamines
Direct Parent phenylmethylamines
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aralkylamines
  • benzylamines
  • c-nitro compounds
  • dialkylamines
  • dialkylthioethers
  • hydrocarbon derivatives
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • sulfenyl compounds
  • trialkylamines
    • Substituents
  • allyl-type 1,3-dipolar organic compound
  • organosulfur compound
  • aralkylamine
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • organic oxoazanium
  • tertiary amine
  • secondary aliphatic amine
  • sulfenyl compound
  • dialkylthioether
  • tertiary aliphatic amine
  • organic 1,3-dipolar compound
  • secondary amine
  • aromatic homomonocyclic compound
  • phenylmethylamine
  • organic oxygen compound
  • benzylamine
  • thioether
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organic hyponitrite