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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:14:15 UTC
Update Date2025-03-24 20:14:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01381624
Frequency0.9
Structure
Chemical FormulaC7H10O3
Molecular Mass142.063
SMILESCC1COC(=O)C(C)C1=O
InChI KeyFIIBVNBPQBODOR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classlactones
Subclass delta valerolactones
Direct Parent delta valerolactones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • carboxylic acid esters
  • cyclic ketones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
    • Substituents
  • carbonyl group
  • delta valerolactone
  • cyclic ketone
  • carboxylic acid derivative
  • ketone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound
  • oxane
  • delta_valerolactone
  • organooxygen compound