Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:34:19 UTC
Update Date2025-03-21 19:57:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00283765
Frequency7.1
Structure
Chemical FormulaC9H12O
Molecular Mass136.0888
SMILESC=CC=CC(C)=CC(C)=O
InChI KeyLWILLDCAXQGEBR-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