Hmdb loader

Showing information for DMID00220689

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:07:04 UTC
Update Date2025-03-21 19:04:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00220689
Frequency9.8
Structure
Chemical FormulaC7H10O2
Molecular Mass126.0681
SMILESCC=CC(=O)C(C)C=O
InChI KeySKFBWHXIHOENJC-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
  • 1,3-dicarbonyl compounds
  • acryloyl compounds
  • beta ketoaldehydes
  • enones
  • hydrocarbon derivatives
  • ketones
  • organic oxides
    • Substituents
  • aliphatic acyclic compound
  • beta-ketoaldehyde
  • alpha,beta-unsaturated ketone
  • medium-chain aldehyde
  • ketone
  • organic oxide
  • hydrocarbon derivative
  • acryloyl-group
  • 1,3-dicarbonyl compound
  • enone