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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:07:24 UTC
Update Date2025-03-24 19:54:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01074717
Frequency1.3
Structure
Chemical FormulaC8H8O2
Molecular Mass136.0524
SMILESC=CC1=C(C)C(=C)OC1=O
InChI KeySEGFKECTZATGJZ-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