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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:46:48 UTC
Update Date2025-03-24 22:21:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01170664
Frequency1.2
Structure
Chemical FormulaC6H10O3
Molecular Mass130.063
SMILESCC1(C)OC2OCC1O2
InChI KeyTXSLNUSAVLTNPN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorthocarboxylic acid derivatives
Subclass carboxylic acid orthoesters
Direct Parent carboxylic acid orthoesters
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dioxanes
  • 1,3-dioxolanes
  • hydrocarbon derivatives
  • ortho esters
  • oxacyclic compounds
    • Substituents
  • aliphatic heteropolycyclic compound
  • oxacycle
  • meta-dioxolane
  • organic oxygen compound
  • ortho ester
  • hydrocarbon derivative
  • carboxylic acid orthoester
  • meta-dioxane
  • organoheterocyclic compound
  • organooxygen compound