Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:10:43 UTC
Update Date2025-03-21 20:49:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00368258
Frequency5.1
Structure
Chemical FormulaC8H14O2
Molecular Mass142.0994
SMILESCC1(C)CC2CC(CO2)O1
InChI KeyOJMJBHWMKCBNAC-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
  • oxanes
  • tetrahydrofurans
  • Substituents
  • ether
  • tetrahydrofuran
  • 1,4-dioxepane
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxygen compound
  • hydrocarbon derivative
  • oxane
  • organooxygen compound