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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:00 UTC
Update Date2025-03-25 00:54:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02205809
Frequency0.5
Structure
Chemical FormulaC10H17NO3
Molecular Mass199.1208
SMILESNCCCCC1(O)CC(O)C=CC1=O
InChI KeyCQAOOYRCXXUJNG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent cyclohexenones
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • acyloins
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • tertiary alcohols
    • Substituents
  • alcohol
  • cyclohexenone
  • tertiary alcohol
  • organic oxide
  • acyloin
  • organonitrogen compound
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound