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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:19:53 UTC
Update Date2025-03-24 14:16:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00818316
Frequency1.8
Structure
Chemical FormulaC7H12O2
Molecular Mass128.0837
SMILESCC=CC(O)C(C)C=O
InChI KeyVOAXJEWOVWEJTH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent medium-chain aldehydes
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • beta-hydroxy aldehydes
  • hydrocarbon derivatives
  • organic oxides
  • secondary alcohols
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • beta-hydroxy aldehyde
  • organic oxide
  • secondary alcohol
  • hydrocarbon derivative
  • medium-chain aldehyde