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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:46:54 UTC
Update Date2025-03-24 17:58:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01026701
Frequency1.4
Structure
Chemical FormulaC8H12O2
Molecular Mass140.0837
SMILESC=C1CC(=O)CC(C)(C)O1
InChI KeyWBUWUDPOBSMIQM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxanes
Subclass oxanes
Direct Parent oxanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • cyclic ketones
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • ketone
  • oxacycle
  • carbonyl group
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • cyclic ketone
  • oxane
  • organooxygen compound