Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:29:23 UTC
Update Date2025-03-24 20:20:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01417743
Frequency0.9
Structure
Chemical FormulaC9H16O
Molecular Mass140.1201
SMILESCC=CC(O)CC(C)=CC
InChI KeyLTYHJHSATRMZEV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent secondary alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • Substituents
  • aliphatic acyclic compound
  • secondary alcohol
  • hydrocarbon derivative