Hmdb loader

Showing information for DMID02174761

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:23 UTC
Update Date2025-03-25 00:49:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02174761
Frequency0.5
Structure
Chemical FormulaC9H14O2
Molecular Mass154.0994
SMILESCCCC=C(CC=O)C(C)=O
InChI KeyBVHBUFOHZNDPHS-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-branched alpha,beta-unsaturated ketones
  • alpha-hydrogen aldehydes
  • enones
  • hydrocarbon derivatives
  • ketones
  • organic oxides
    • Substituents
  • alpha-branched alpha,beta-unsaturated-ketone
  • aliphatic acyclic compound
  • alpha,beta-unsaturated ketone
  • medium-chain aldehyde
  • ketone
  • organic oxide
  • alpha-hydrogen aldehyde
  • hydrocarbon derivative
  • acryloyl-group
  • enone