Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:01:34 UTC
Update Date2025-03-24 22:28:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01206542
Frequency1.1
Structure
Chemical FormulaC9H14O
Molecular Mass138.1045
SMILESC=CC(=C)C(O)C=C(C)C
InChI KeyBFNBCGPXCYGNFW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent secondary alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • Substituents
  • aliphatic acyclic compound
  • secondary alcohol
  • hydrocarbon derivative