Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:13 UTC
Update Date2025-03-25 01:01:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02247624
Frequency0.5
Structure
Chemical FormulaC7H10O
Molecular Mass110.0732
SMILESC=C1C=C(C)C(O)C1
InChI KeyORQQXKULHXRASB-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