Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:44:02 UTC
Update Date2025-03-25 01:33:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02441704
Frequency0.5
Structure
Chemical FormulaC4H6O2
Molecular Mass86.0368
SMILESOC1=CC(O)C1
InChI KeyXTXJUXQVFBCALC-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