Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:53:22 UTC
Update Date2025-03-21 20:06:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00327514
Frequency5.9
Structure
Chemical FormulaC7H12O3
Molecular Mass144.0786
SMILESCC1CCC(O)(C=O)OC1
InChI KeyXUXPJVYBRJDCFO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrans
Subclass pyran carboxylic acids and derivatives
Direct Parent pyran carboxylic acids
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • aldehydes
  • hemiacetals
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • pyrans
  • Substituents
  • carbonyl group
  • pyran carboxylic acid or derivatives
  • aldehyde
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hemiacetal
  • hydrocarbon derivative
  • oxane
  • organooxygen compound