Hmdb loader
Record Information
HMDB Statusexpected
Creation Date2024-02-20 23:42:20 UTC
Update Date2025-03-21 17:59:22 UTC
HMDB IDHMDB0039461
Metabolite Identification
DeepMet IDDMID00020533
Name7-Methyl-3-octen-2-one
Frequency196.9
Structure
Chemical FormulaC9H16O
Molecular Mass140.1201
SMILESCC(=O)C=CCCC(C)C
InChI KeyQFSMRIFNMXHJQK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass acryloyl compounds
Direct Parent acryloyl compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • enones
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • Substituents
  • ketone
  • aliphatic acyclic compound
  • carbonyl group
  • organic oxide
  • hydrocarbon derivative
  • acryloyl-group
  • alpha,beta-unsaturated ketone
  • enone