Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:21:35 UTC
Update Date2025-03-24 21:35:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01828784
Frequency0.7
Structure
Chemical FormulaC7H12O3
Molecular Mass144.0786
SMILESCC1C=COC(CO)C1O
InChI KeyOKQRQRBYYKMFGE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent secondary alcohols
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • oxacyclic compounds
  • primary alcohols
  • Substituents
  • oxacycle
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • primary alcohol
  • organoheterocyclic compound