Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:35:25 UTC
Update Date2025-03-24 22:16:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01142645
Frequency1.2
Structure
Chemical FormulaC9H16O
Molecular Mass140.1201
SMILESCCC1C=C(C)C(O)CC1
InChI KeyBTLRLTAIGJEIBK-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