Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:38:16 UTC
Update Date2025-03-24 21:16:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01726095
Frequency0.7
Structure
Chemical FormulaC6H10O3
Molecular Mass130.063
SMILESC=COC(=O)C(C)CO
InChI KeyNEBKODQRFABIBT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass beta hydroxy acids and derivatives
Direct Parent beta hydroxy acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • enol esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • primary alcohols
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid derivative
  • beta-hydroxy acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • primary alcohol
  • enol ester
  • organooxygen compound