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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:21:02 UTC
Update Date2025-03-24 21:35:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01827567
Frequency0.7
Structure
Chemical FormulaC7H8O3
Molecular Mass140.0473
SMILESOC1OC2C=CC1C1OC21
InChI KeyMWNHHCLTIODJTG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxepanes
Subclass 1,4-dioxepanes
Direct Parent 1,4-dioxepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • dialkyl ethers
  • epoxides
  • hemiacetals
  • hydrocarbon derivatives
  • oxacyclic compounds
  • oxanes
  • pyrans
    • Substituents
  • ether
  • 1,4-dioxepane
  • oxirane
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxygen compound
  • pyran
  • hemiacetal
  • hydrocarbon derivative
  • oxane
  • organooxygen compound