Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:24:15 UTC
Update Date2025-03-24 20:18:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01405055
Frequency0.9
Structure
Chemical FormulaC7H12O2
Molecular Mass128.0837
SMILESCC1C=CCC(O)C1O
InChI KeyNPPJLHOLYSPYGA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent 1,2-diols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • secondary alcohols
  • Substituents
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • 1,2-diol