Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:32:59 UTC
Update Date2025-03-24 13:57:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00705476
Frequency2.2
Structure
Chemical FormulaC6H9NO
Molecular Mass111.0684
SMILESNC1C=CCCC1=O
InChI KeyGGRYVMNSLJVSKI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent cyclohexenones
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • cyclohexenone
  • organic oxide
  • organonitrogen compound
  • aliphatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound