Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:36:25 UTC
Update Date2025-03-25 00:45:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02147421
Frequency0.6
Structure
Chemical FormulaC7H8O2
Molecular Mass124.0524
SMILESC1=CC2OC3OC3C2C1
InChI KeyUGYWZVGOJLCPMW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxocins
Subclass oxocins
Direct Parent oxocins
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dioxanes
  • epoxides
  • hydrocarbon derivatives
  • organooxygen compounds
  • oxacyclic compounds
  • tetrahydrofurans
  • Substituents
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxygen compound
  • tetrahydrofuran
  • oxirane
  • hydrocarbon derivative
  • meta-dioxane
  • organooxygen compound
  • oxocin