Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:16:31 UTC
Update Date2025-03-24 23:19:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01243729
Frequency1.1
Structure
Chemical FormulaC9H12O
Molecular Mass136.0888
SMILESCC=CCCC(C)=C=C=O
InChI KeyGRPQJYVQMIXSQZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass organooxygen compounds
Direct Parent organooxygen compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organic oxides
  • Substituents
  • aliphatic acyclic compound
  • organic oxide
  • hydrocarbon derivative
  • organooxygen compound