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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:05 UTC
Update Date2025-03-25 01:01:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02247347
Frequency0.5
Structure
Chemical FormulaC12H18O2
Molecular Mass194.1307
SMILESCC1=CC2OC(C)(C)C(C)CC2C1=O
InChI KeyRQHJAOMBWXMQOF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxanes
Subclass oxanes
Direct Parent oxanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • dialkyl ethers
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • carbonyl group
  • ether
  • dialkyl ether
  • ketone
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • hydrocarbon derivative
  • oxane
  • organooxygen compound