Hmdb loader
Record Information
HMDB Statusdetected
Creation Date2024-02-21 00:13:12 UTC
Update Date2025-03-21 18:32:59 UTC
HMDB IDHMDB0036565
Metabolite Identification
DeepMet IDDMID00093704
Namebeta-Ionone
Frequency29.7
Structure
Chemical FormulaC13H20O
Molecular Mass192.1514
SMILESCC(=O)C=CC1=C(C)CCCC1(C)C
InChI KeyPSQYTAPXSHCGMF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classprenol lipids
Subclass sesquiterpenoids
Direct Parent sesquiterpenoids
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • acryloyl compounds
  • enones
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • Substituents
  • carbonyl group
  • megastigmane sesquiterpenoid
  • alpha,beta-unsaturated ketone
  • ketone
  • organic oxide
  • sesquiterpenoid
  • organic oxygen compound
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • acryloyl-group
  • organooxygen compound
  • enone