Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:48:05 UTC
Update Date2025-03-21 22:57:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00599772
Frequency2.7
Structure
Chemical FormulaC7H12O2
Molecular Mass128.0837
SMILESCC1(C)OC2COCC21
InChI KeyFZRSHVNWVDTRFF-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
  • hydrocarbon derivatives
  • oxacyclic compounds
  • oxetanes
  • tetrahydrofurans
  • Substituents
  • ether
  • tetrahydrofuran
  • 1,4-dioxepane
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxygen compound
  • oxetane
  • hydrocarbon derivative
  • organooxygen compound