Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:02:36 UTC
Update Date2025-03-24 19:52:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01063527
Frequency1.3
Structure
Chemical FormulaC6H10O3
Molecular Mass130.063
SMILESCC1(CO)OCC2OC21
InChI KeyJBXKDWRDWKWSKC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxanes
Subclass 1,4-dioxanes
Direct Parent 1,4-dioxanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • alcohols and polyols
  • dialkyl ethers
  • epoxides
  • hydrocarbon derivatives
  • oxacyclic compounds
  • tetrahydrofurans
  • Substituents
  • alcohol
  • ether
  • tetrahydrofuran
  • oxirane
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxygen compound
  • para-dioxane
  • hydrocarbon derivative
  • organooxygen compound