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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:42 UTC
Update Date2025-03-25 00:47:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159552
Frequency0.5
Structure
Chemical FormulaC12H16O2
Molecular Mass192.115
SMILESC=C1C(=O)OC2C1CC=C(C)C2(C)C
InChI KeyWEMGDTNJVUCOCT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classlactones
Subclass gamma butyrolactones
Direct Parent gamma butyrolactones
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • carbonyl compounds
  • enoate esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • tetrahydrofurans
    • Substituents
  • enoate ester
  • carbonyl group
  • tetrahydrofuran
  • carboxylic acid derivative
  • gamma butyrolactone
  • aliphatic heteropolycyclic compound
  • oxacycle
  • alpha,beta-unsaturated carboxylic ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • organooxygen compound