Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:42:03 UTC
Update Date2025-03-24 20:26:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01447526
Frequency0.9
Structure
Chemical FormulaC7H8O2
Molecular Mass124.0524
SMILESC=C1C=C(CC)C(=O)O1
InChI KeyJHXZOUXDEKLJPO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydrofurans
Subclass furanones
Direct Parent butenolides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • dihydrofurans
  • enoate esters
  • enol esters
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • enoate ester
  • carbonyl group
  • carboxylic acid derivative
  • lactone
  • oxacycle
  • alpha,beta-unsaturated carboxylic ester
  • 2-furanone
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • enol ester
  • organooxygen compound