Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:41 UTC
Update Date2025-03-25 00:46:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157310
Frequency0.5
Structure
Chemical FormulaC4H3ClO4
Molecular Mass149.972
SMILESO=C1OC(C(=O)O)C1Cl
InChI KeyRGVAYWYBDZUDIV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass dicarboxylic acids and derivatives
Direct Parent dicarboxylic acids and derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alkyl chlorides
  • beta propiolactones
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • hydrocarbon derivatives
  • organic oxides
  • organochlorides
  • oxacyclic compounds
  • oxetanes
  • Substituents
  • carbonyl group
  • carboxylic acid
  • alkyl chloride
  • organochloride
  • organohalogen compound
  • beta_propiolactone
  • lactone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • oxetane
  • aliphatic heteromonocyclic compound
  • dicarboxylic acid or derivatives
  • alkyl halide
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound