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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:33 UTC
Update Date2025-03-25 00:47:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163701
Frequency0.5
Structure
Chemical FormulaC10H16N2O3
Molecular Mass212.1161
SMILESCC1(C)COC(O)(Cn2ccnc2)OC1
InChI KeyJPTOXVJVOQGCCL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxanes
Subclass 1,3-dioxanes
Direct Parent 1,3-dioxanes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • n-substituted imidazoles
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • orthocarboxylic acid derivatives
  • oxacyclic compounds
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • oxacycle
  • organic oxygen compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • orthocarboxylic acid derivative
  • meta-dioxane
  • organooxygen compound
  • azole
  • n-substituted imidazole