Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:23:38 UTC
Update Date2025-03-21 18:38:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00119168
Frequency21.9
Structure
Chemical FormulaC7H14O3
Molecular Mass146.0943
SMILESCCOC(=O)OCC(C)C
InChI KeyRZTHZKJOZZSSOV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic carbonic acids and derivatives
Subclass carbonic acid diesters
Direct Parent carbonic acid diesters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • hydrocarbon derivatives
  • organic oxides
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • organic oxide
  • organic oxygen compound
  • carbonic acid diester
  • hydrocarbon derivative
  • organooxygen compound