Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:03:37 UTC
Update Date2025-03-24 20:35:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01498187
Frequency0.9
Structure
Chemical FormulaC8H14O2
Molecular Mass142.0994
SMILESCC1CCC2(C)OC(C1)O2
InChI KeyADJFJTWSOHKHKH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxepanes
Subclass oxepanes
Direct Parent oxepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • dioxetanes
  • hydrocarbon derivatives
  • organooxygen compounds
  • oxacyclic compounds
  • Substituents
  • aliphatic heteropolycyclic compound
  • oxepane
  • oxacycle
  • organic oxygen compound
  • hydrocarbon derivative
  • 1,3-dioxetane
  • organooxygen compound