Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:14:30 UTC
Update Date2025-03-21 19:08:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00237816
Frequency8.9
Structure
Chemical FormulaC8H14O
Molecular Mass126.1045
SMILESCC1=C(C)CC(O)CC1
InChI KeyPDGYHGRZNSRUKW-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