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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:47 UTC
Update Date2025-03-25 00:52:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02196118
Frequency0.5
Structure
Chemical FormulaC12H18O2
Molecular Mass194.1307
SMILESCC1=CC2(CCC(C)O2)C(C)(C)C1=O
InChI KeyZMYIYJWEHDQJAR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrahydrofurans
Subclass tetrahydrofurans
Direct Parent tetrahydrofurans
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • cyclic ketones
  • dialkyl ethers
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • carbonyl group
  • ether
  • tetrahydrofuran
  • cyclic ketone
  • dialkyl ether
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound