Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:11 UTC
Update Date2025-03-21 18:38:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00122795
Frequency21.0
Structure
Chemical FormulaC5H8O3
Molecular Mass116.0473
SMILESCC1CCC(=O)OO1
InChI KeyQETOZAORNBJXMA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxanes
Subclass 1,2-dioxanes
Direct Parent 1,2-dioxanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • oxacycle
  • carbonyl group
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • carboxylic acid derivative
  • ortho-dioxane
  • organooxygen compound