Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:55:45 UTC
Update Date2025-03-24 22:25:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01192126
Frequency1.1
Structure
Chemical FormulaC4H6O4
Molecular Mass118.0266
SMILESO=C1COC(O)CO1
InChI KeyXCJAUVJVZQMBFP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxanes
Subclass 1,4-dioxanes
Direct Parent 1,4-dioxanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid esters
  • hemiacetals
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • carbonyl group
  • carboxylic acid derivative
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • para-dioxane
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • hemiacetal
  • hydrocarbon derivative
  • organooxygen compound