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Showing information for DMID00311984

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:46:47 UTC
Update Date2025-03-21 20:03:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00311984
Frequency6.3
Structure
Chemical FormulaC9H16O
Molecular Mass140.1201
SMILESC=C(CCCC)C(=O)CC
InChI KeyBMYPWMYPVLZNRL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-branched alpha,beta-unsaturated ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acryloyl compounds
  • enones
  • hydrocarbon derivatives
  • ketones
  • organic oxides
    • Substituents
  • ketone
  • alpha-branched alpha,beta-unsaturated-ketone
  • aliphatic acyclic compound
  • organic oxide
  • hydrocarbon derivative
  • acryloyl-group
  • enone