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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:25 UTC
Update Date2025-03-25 00:49:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177198
Frequency0.5
Structure
Chemical FormulaC12H18NO8P
Molecular Mass335.077
SMILESCc1ccc(C2OC(COP(=O)(O)O)C(O)C2O)c(N)c1O
InChI KeyXTTORVMRVKIZPR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent pentose phosphates
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • 1-hydroxy-4-unsubstituted benzenoids
  • dialkyl ethers
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • monosaccharides
  • organic oxides
  • organopnictogen compounds
  • ortho cresols
  • oxacyclic compounds
  • primary amines
  • secondary alcohols
  • tetrahydrofurans
  • toluenes
    • Substituents
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • pentose phosphate
  • pentose-5-phosphate
  • dialkyl ether
  • organic oxide
  • o-cresol
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • 1,2-diol
  • alcohol
  • tetrahydrofuran
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • phosphoric acid ester
  • monoalkyl phosphate
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • toluene
  • organic phosphoric acid derivative
  • amine
  • alkyl phosphate