Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:11:17 UTC
Update Date2025-03-24 14:13:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00797232
Frequency1.9
Structure
Chemical FormulaC4H8O4
Molecular Mass120.0423
SMILESOC1COC(O)OC1
InChI KeyNPUDDROUKDHQBG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxanes
Subclass 1,3-dioxanes
Direct Parent 1,3-dioxanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • orthocarboxylic acid derivatives
  • oxacyclic compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • oxacycle
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • orthocarboxylic acid derivative
  • meta-dioxane
  • organooxygen compound