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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:17:17 UTC
Update Date2025-03-21 19:09:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00244389
Frequency8.6
Structure
Chemical FormulaC6H6O2
Molecular Mass110.0368
SMILESO=CCc1ccoc1
InChI KeyWEKNDLLCLKQVLG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classfurans
Subclass furans
Direct Parent furans
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alpha-hydrogen aldehydes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • furan
  • carbonyl group
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • aldehyde
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • alpha-hydrogen aldehyde
  • hydrocarbon derivative
  • organooxygen compound