Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:19:12 UTC
Update Date2025-03-21 20:52:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00388383
Frequency4.7
Structure
Chemical FormulaC7H12O3
Molecular Mass144.0786
SMILESOC1CC=CC(O)C(O)C1
InChI KeyILJJPNUFFJSEDD-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