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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:06 UTC
Update Date2025-03-21 18:38:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00122602
Frequency21.1
Structure
Chemical FormulaC16H19N4O10P
Molecular Mass458.0839
SMILESCc1cc2c(cc1O)nc1c(=O)[nH]c(=O)nc-1n2CC(O)C(O)C(O)COP(=O)(O)O
InChI KeyORLOVNGIHKDSFH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpteridines and derivatives
Subclass alloxazines and isoalloxazines
Direct Parent alloxazines and isoalloxazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • benzenoids
  • diazanaphthalenes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • monoalkyl phosphates
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrazines
  • pyrimidones
  • quinoxalines
  • secondary alcohols
  • Substituents
  • lactam
  • 1-hydroxy-2-unsubstituted benzenoid
  • pyrimidone
  • isoalloxazine
  • pyrimidine
  • organic oxide
  • diazanaphthalene
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • quinoxaline
  • carbonic acid derivative
  • azacycle
  • heteroaromatic compound
  • organic oxygen compound
  • phosphoric acid ester
  • monoalkyl phosphate
  • pyrazine
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound