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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:46:00 UTC
Update Date2025-03-21 18:50:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00171686
Frequency13.6
Structure
Chemical FormulaC7H10O2
Molecular Mass126.0681
SMILESCC1CC=CCC(=O)O1
InChI KeyNUYUHDRDVJCHJN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classlactones
Subclass lactones
Direct Parent lactones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • carbonyl group
  • carboxylic acid derivative
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound