Hmdb loader
Record Information
HMDB Statusdetected
Creation Date2024-02-21 08:00:33 UTC
Update Date2025-03-24 22:27:29 UTC
HMDB IDHMDB0243916
Metabolite Identification
DeepMet IDDMID01204026
Name1-Methoxy-2-propyl acetate
Frequency1.1
Structure
Chemical FormulaC6H12O3
Molecular Mass132.0786
SMILESCOCC(C)OC(C)=O
InChI KeyLLHKCFNBLRBOGN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass carboxylic acid derivatives
Direct Parent carboxylic acid esters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • dialkyl ethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • organic oxide
  • monocarboxylic acid or derivatives
  • ether
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • dialkyl ether
  • organooxygen compound