Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:41 UTC
Update Date2025-03-25 00:48:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166339
Frequency0.5
Structure
Chemical FormulaC9H16O3
Molecular Mass172.1099
SMILESCC1CCC2(OC1)OOC2(C)C
InChI KeyHEVLWTWJLODUFQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxanes
Subclass oxanes
Direct Parent oxanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • dialkyl peroxides
  • dioxetanes
  • hydrocarbon derivatives
  • organooxygen compounds
  • oxacyclic compounds
  • Substituents
  • 1,2-dioxetane
  • oxacycle
  • organic oxygen compound
  • dialkyl peroxide
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • oxane
  • organooxygen compound