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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:51 UTC
Update Date2025-03-25 01:01:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02246790
Frequency0.5
Structure
Chemical FormulaC14H16O2
Molecular Mass216.115
SMILESCCC1=C(C)C(Cc2ccccc2)OC1=O
InChI KeyAUPSDADHLJCUCN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydrofurans
Subclass furanones
Direct Parent butenolides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • benzene and substituted derivatives
  • carbonyl compounds
  • dihydrofurans
  • enoate esters
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • enoate ester
  • monocyclic benzene moiety
  • carbonyl group
  • aromatic heteromonocyclic compound
  • carboxylic acid derivative
  • lactone
  • oxacycle
  • alpha,beta-unsaturated carboxylic ester
  • 2-furanone
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound