Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:34 UTC
Update Date2025-03-21 18:35:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00106824
Frequency25.2
Structure
Chemical FormulaC6H8O2
Molecular Mass112.0524
SMILESCC(=O)C=CCC=O
InChI KeyCRYMHJDGZMFFLM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent medium-chain aldehydes
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acryloyl compounds
  • alpha-hydrogen aldehydes
  • enones
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • Substituents
  • aliphatic acyclic compound
  • alpha,beta-unsaturated ketone
  • medium-chain aldehyde
  • ketone
  • organic oxide
  • alpha-hydrogen aldehyde
  • hydrocarbon derivative
  • acryloyl-group
  • enone