Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:58:10 UTC
Update Date2025-03-25 00:52:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02196990
Frequency0.5
Structure
Chemical FormulaC9H12O3
Molecular Mass168.0786
SMILESCCC1C(=O)OC(C)=C1C(C)=O
InChI KeyHRJODSAIKQFUJJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydrofurans
Subclass dihydrofurans
Direct Parent dihydrofurans
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • enol esters
  • hydrocarbon derivatives
  • ketones
  • lactones
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • carbonyl group
  • carboxylic acid derivative
  • ketone
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • enol ester
  • organooxygen compound
  • dihydrofuran