Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:37:01 UTC
Update Date2025-03-25 01:07:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02286026
Frequency0.5
Structure
Chemical FormulaC9H12O
Molecular Mass136.0888
SMILESC=CC(=O)CC1C=CCC1
InChI KeySAGOYFCLZSOMRJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass acryloyl compounds
Direct Parent acryloyl compounds
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • enones
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • Substituents
  • ketone
  • carbonyl group
  • organic oxide
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • acryloyl-group
  • alpha,beta-unsaturated ketone
  • enone