Hmdb loader

Showing information for DMID02181250

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:11 UTC
Update Date2025-03-25 00:50:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02181250
Frequency0.5
Structure
Chemical FormulaC7H11NO2
Molecular Mass141.079
SMILESOC1=NC2CC1CCC2O
InChI KeyINRILZXHVRWWGB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazepines
Subclass azepines
Direct Parent azepines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • cyclic alcohols and derivatives
  • cyclic carboximidic acids
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrrolines
  • secondary alcohols
    • Substituents
  • alcohol
  • azacycle
  • organic 1,3-dipolar compound
  • cyclic alcohol
  • propargyl-type 1,3-dipolar organic compound
  • aliphatic heteropolycyclic compound
  • pyrroline
  • organic oxygen compound
  • azepine
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • cyclic carboximidic acid
  • organooxygen compound