Hmdb loader

Showing information for DMID00529348

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:18:41 UTC
Update Date2025-03-21 22:15:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00529348
Frequency3.2
Structure
Chemical FormulaC5H6O3
Molecular Mass114.0317
SMILESCC(=O)C(O)=CC=O
InChI KeyIRIASXSGHWGRDF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-branched alpha,beta-unsaturated ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acryloyl compounds
  • alpha-hydroxy ketones
  • enones
  • hydrocarbon derivatives
  • organic oxides
  • short-chain aldehydes
  • vinylogous acids
    • Substituents
  • alpha-branched alpha,beta-unsaturated-ketone
  • aliphatic acyclic compound
  • short-chain aldehyde
  • aldehyde
  • alpha-hydroxy ketone
  • ketone
  • vinylogous acid
  • organic oxide
  • hydrocarbon derivative
  • acryloyl-group
  • enone