Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:02:10 UTC
Update Date2025-03-21 18:56:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00209170
Frequency10.5
Structure
Chemical FormulaC8H14O
Molecular Mass126.1045
SMILESCC1CC=C(C(C)O)C1
InChI KeyIIJPCCCEIBTWPF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent secondary alcohols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • Substituents
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative