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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:15:36 UTC
Update Date2025-03-24 21:59:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01956277
Frequency0.6
Structure
Chemical FormulaC7H12O3
Molecular Mass144.0786
SMILESCC1OCC(=O)CC1(C)O
InChI KeyBAJYWCXICXUHLN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxanes
Subclass oxanes
Direct Parent oxanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • cyclic ketones
  • dialkyl ethers
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • tertiary alcohols
    • Substituents
  • alcohol
  • carbonyl group
  • ether
  • cyclic ketone
  • dialkyl ether
  • ketone
  • oxacycle
  • tertiary alcohol
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • oxane
  • organooxygen compound