Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:50:25 UTC
Update Date2025-03-25 01:12:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02316886
Frequency0.5
Structure
Chemical FormulaC6H10O3
Molecular Mass130.063
SMILESCC1(C)OCCOC1=O
InChI KeyBKHGTYGMRHXKIG-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
  • dialkyl ethers
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • carbonyl group
  • ether
  • carboxylic acid derivative
  • dialkyl ether
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • para-dioxane
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound