Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:39:00 UTC
Update Date2025-03-21 17:58:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00013170
Frequency341.4
Structure
Chemical FormulaC7H10O3
Molecular Mass142.063
SMILESCC1(C)OC2C=COC2O1
InChI KeyXJNNXOWLIANXFO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent ketals
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dioxolanes
  • dihydrofurans
  • hydrocarbon derivatives
  • organooxygen compounds
  • oxacyclic compounds
  • Substituents
  • aliphatic heteropolycyclic compound
  • oxacycle
  • meta-dioxolane
  • ketal
  • hydrocarbon derivative
  • organoheterocyclic compound
  • dihydrofuran