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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:14:30 UTC
Update Date2025-03-21 23:11:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00661428
Frequency2.4
Structure
Chemical FormulaC7H10O3
Molecular Mass142.063
SMILESCC1(C)OC2C3OC3C2O1
InChI KeySUGSFGSANVLRME-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxepanes
Subclass 1,3-dioxepanes
Direct Parent 1,3-dioxepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dioxolanes
  • dialkyl ethers
  • epoxides
  • hydrocarbon derivatives
  • ketals
  • oxacyclic compounds
  • tetrahydrofurans
    • Substituents
  • 1,3-dioxepane
  • meta-dioxolane
  • ether
  • tetrahydrofuran
  • oxirane
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxygen compound
  • acetal
  • ketal
  • hydrocarbon derivative
  • organooxygen compound