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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:42:52 UTC
Update Date2025-03-24 20:52:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01592887
Frequency0.8
Structure
Chemical FormulaC8H14O2
Molecular Mass142.0994
SMILESCC1(C)OC2CCC2(C)O1
InChI KeySUCOVIQIFUNWJW-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
  • hydrocarbon derivatives
  • ketals
  • organooxygen compounds
  • oxacyclic compounds
    • Substituents
  • aliphatic heteropolycyclic compound
  • oxacycle
  • 1,3-dioxepane
  • meta-dioxolane
  • organic oxygen compound
  • acetal
  • ketal
  • hydrocarbon derivative
  • organooxygen compound