Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:53:07 UTC
Update Date2025-03-21 20:06:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00326939
Frequency5.9
Structure
Chemical FormulaC9H16O
Molecular Mass140.1201
SMILESCC1=CC(O)C(C)(C)CC1
InChI KeyNIIOBBZRLOQONL-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