Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:11:47 UTC
Update Date2025-03-24 20:38:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01518334
Frequency0.8
Structure
Chemical FormulaC8H12O
Molecular Mass124.0888
SMILESC=C=C=CC(O)CCC
InChI KeyXGRMDOBPRJXOGJ-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