Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:13:11 UTC
Update Date2025-03-25 00:58:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02231398
Frequency0.5
Structure
Chemical FormulaC12H20O
Molecular Mass180.1514
SMILESCC1=CCCC(C)(C)C12CCC2O
InChI KeyLSJLIXJDEIIJHN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclic alcohols and derivatives
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • secondary alcohols
  • Substituents
  • cyclobutanol
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative