Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:52:23 UTC
Update Date2025-03-24 18:00:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01039967
Frequency1.3
Structure
Chemical FormulaC5H6O3
Molecular Mass114.0317
SMILESO=CC=CC(=O)CO
InChI KeyHLZZBSVWPZIBJF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-hydroxy ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acryloyl compounds
  • alcohols and polyols
  • enones
  • hydrocarbon derivatives
  • organic oxides
  • short-chain aldehydes
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • short-chain aldehyde
  • aldehyde
  • alpha,beta-unsaturated ketone
  • alpha-hydroxy ketone
  • organic oxide
  • hydrocarbon derivative
  • acryloyl-group
  • enone