Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:56:05 UTC
Update Date2025-03-21 18:04:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00052985
Frequency61.2
Structure
Chemical FormulaC8H12O
Molecular Mass124.0888
SMILESC=CC1(O)CC=CCC1
InChI KeyONJIKYLMISRJNS-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