Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:04:27 UTC
Update Date2025-03-21 18:28:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00072815
Frequency41.0
Structure
Chemical FormulaC6H12O
Molecular Mass100.0888
SMILESC=C(CC)C(C)O
InChI KeyWTZFNKJLZQBPJH-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