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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:52 UTC
Update Date2025-03-25 00:54:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02205520
Frequency0.5
Structure
Chemical FormulaC9H14N3O7P
Molecular Mass307.0569
SMILESNP(=O)(O)OC1CC(n2ccc(=O)[nH]c2=O)OC1CO
InChI KeyWAAOMKYBZVTSBQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic phosphoric acids and derivatives
Subclass organic phosphoramides
Direct Parent phosphoric monoester monoamides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic carbonic acids and derivatives
  • organic oxides
  • organic phosphoramides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • phosphate esters
  • primary alcohols
  • pyrimidones
  • tetrahydrofurans
  • vinylogous amides
  • Substituents
  • lactam
  • aromatic heteromonocyclic compound
  • pyrimidone
  • pyrimidine
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • phosphoric monoester monoamide
  • vinylogous amide
  • carbonic acid derivative
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • oxacycle
  • organic oxygen compound
  • phosphoric acid ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound