Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:54:57 UTC
Update Date2025-03-24 14:06:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00758563
Frequency2.0
Structure
Chemical FormulaC9H12O
Molecular Mass136.0888
SMILESC=CC(C=CC(C)=O)=CC
InChI KeyARIUMIXCAWLSAP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass acryloyl compounds
Direct Parent acryloyl compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • enones
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • Substituents
  • ketone
  • aliphatic acyclic compound
  • carbonyl group
  • organic oxide
  • hydrocarbon derivative
  • acryloyl-group
  • alpha,beta-unsaturated ketone
  • enone