Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:59:45 UTC
Update Date2025-03-21 20:09:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00342461
Frequency5.6
Structure
Chemical FormulaC8H12O
Molecular Mass124.0888
SMILESC=CC1=C(C)C(O)CC1
InChI KeySKHLQIATWCDHIN-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