Hmdb loader

Showing information for DMID00695480

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:28:51 UTC
Update Date2025-03-21 23:18:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00695480
Frequency2.2
Structure
Chemical FormulaC6H8O2
Molecular Mass112.0524
SMILESC=C(C=O)C(=O)CC
InChI KeyXJOUAWDQHUGYMX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent beta ketoaldehydes
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acryloyl compounds
  • alpha-branched alpha,beta-unsaturated ketones
  • enones
  • hydrocarbon derivatives
  • ketones
  • organic oxides
    • Substituents
  • alpha-branched alpha,beta-unsaturated-ketone
  • aliphatic acyclic compound
  • beta-ketoaldehyde
  • alpha,beta-unsaturated ketone
  • ketone
  • organic oxide
  • hydrocarbon derivative
  • acryloyl-group
  • enone