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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:34 UTC
Update Date2025-03-25 00:48:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166076
Frequency0.5
Structure
Chemical FormulaC10H14N2O4
Molecular Mass226.0954
SMILESCC1OC(C)(C)OC1c1c[nH]c(=O)[nH]c1=O
InChI KeyLNQGSTDBJGGAFE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dioxolanes
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • ketals
  • lactams
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • vinylogous amides
  • Substituents
  • vinylogous amide
  • meta-dioxolane
  • carbonic acid derivative
  • lactam
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • pyrimidone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • acetal
  • ketal
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound