Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:44:12 UTC
Update Date2025-03-21 18:00:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00024770
Frequency156.8
Structure
Chemical FormulaC7H14O
Molecular Mass114.1045
SMILESC=CC(O)CC(C)C
InChI KeyAZAKXXGZWJWZLN-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