Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:37:19 UTC
Update Date2025-03-21 17:57:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00009227
Frequency524.8
Structure
Chemical FormulaC9H12O3
Molecular Mass168.0786
SMILESCC1=C(CCC(=O)O)C(=O)CC1
InChI KeyYOHDHHZJRIBXJA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent cyclic ketones
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • organic oxide
  • monocarboxylic acid or derivatives
  • carboxylic acid
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • cyclic ketone
  • carboxylic acid derivative