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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:40 UTC
Update Date2025-03-25 00:47:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163944
Frequency0.5
Structure
Chemical FormulaC13H14O2
Molecular Mass202.0994
SMILESCC1=CC(=O)OC1Cc1cccc(C)c1
InChI KeyKDXCNNXWTDFWBE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass toluenes
Direct Parent toluenes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • butenolides
  • carbonyl compounds
  • dihydrofurans
  • enoate esters
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • enoate ester
  • 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
  • toluene
  • organoheterocyclic compound
  • organooxygen compound
  • dihydrofuran