Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 17:12:19 UTC
Update Date2025-03-25 01:45:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02507753
Frequency0.5
Structure
Chemical FormulaC8H14O2
Molecular Mass142.0994
SMILESCC1CCC2(C)OCC1O2
InChI KeyITEWFGLVJITDGY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxepanes
Subclass oxepanes
Direct Parent oxepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dioxolanes
  • hydrocarbon derivatives
  • ketals
  • organooxygen compounds
  • oxacyclic compounds
  • oxanes
  • Substituents
  • aliphatic heteropolycyclic compound
  • oxepane
  • oxacycle
  • meta-dioxolane
  • organic oxygen compound
  • acetal
  • ketal
  • hydrocarbon derivative
  • oxane
  • organooxygen compound