Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:54:18 UTC
Update Date2025-03-21 23:00:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00614279
Frequency2.6
Structure
Chemical FormulaC7H12O2
Molecular Mass128.0837
SMILESOC1CC=CCC(O)C1
InChI KeyJPBVKOCCOBPWCZ-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