Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:01:41 UTC
Update Date2025-03-24 21:53:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01923390
Frequency0.6
Structure
Chemical FormulaC7H12O3
Molecular Mass144.0786
SMILESCCOC(O)=CC(=O)CC
InChI KeyVTCBROYPJWTJFO-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
  • vinylogous acids
  • vinylogous esters
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • vinylogous ester
  • alpha,beta-unsaturated ketone
  • ketone
  • vinylogous acid
  • organic oxide
  • hydrocarbon derivative
  • acryloyl-group
  • enone