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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:13:50 UTC
Update Date2025-03-25 00:37:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02094867
Frequency0.6
Structure
Chemical FormulaC4H7NO3
Molecular Mass117.0426
SMILESO=[N+]([O-])C1CCC1O
InChI KeyXRUMYMYBCOLDCJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclic alcohols and derivatives
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • c-nitro compounds
  • hydrocarbon derivatives
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
    • Substituents
  • allyl-type 1,3-dipolar organic compound
  • organic 1,3-dipolar compound
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • cyclobutanol
  • c-nitro compound
  • organonitrogen compound
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic oxoazanium
  • organic hyponitrite