Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:10:28 UTC
Update Date2025-03-21 22:11:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00510072
Frequency3.3
Structure
Chemical FormulaC8H14O
Molecular Mass126.1045
SMILESC=C=C(C)CC(O)CC
InChI KeyYQXJXZDESPGKQY-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