Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:18:15 UTC
Update Date2025-03-25 01:00:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02242992
Frequency0.5
Structure
Chemical FormulaC12H20O
Molecular Mass180.1514
SMILESC=C(C)CC1(O)C(C)=CCCC1C
InChI KeySRGOLPNSMCVIGX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • Substituents
  • tertiary alcohol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative