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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:03:02 UTC
Update Date2025-03-25 00:33:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02069120
Frequency0.6
Structure
Chemical FormulaC8H10O2
Molecular Mass138.0681
SMILESCC1=CCC(=O)C(C)C1=O
InChI KeyJTGYPFQTABRCAR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent quinones
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • beta-diketones
  • cyclohexenones
  • hydrocarbon derivatives
  • m-benzoquinones
  • organic oxides
    • Substituents
  • cyclohexenone
  • organic oxide
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound
  • m-benzoquinone
  • 1,3-diketone
  • quinone