Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:29:00 UTC
Update Date2025-03-24 20:46:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01560115
Frequency0.8
Structure
Chemical FormulaC9H16O
Molecular Mass140.1201
SMILESCC1C=C(C(C)(C)O)CC1
InChI KeyRWIDAFMRGNHFGR-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