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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:16:47 UTC
Update Date2025-03-25 00:59:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02239605
Frequency0.5
Structure
Chemical FormulaC13H18NO7P
Molecular Mass331.0821
SMILESO=P(O)(O)OCC(O)C(O)Cn1cc(CO)c2ccccc21
InChI KeyOXXIAHFNHTWZAP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indole-3-carbinol and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aromatic alcohols
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • indoles
  • monoalkyl phosphates
  • n-alkylindoles
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • substituted pyrroles
    • Substituents
  • aromatic alcohol
  • n-alkylindole
  • substituted pyrrole
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • azacycle
  • heteroaromatic compound
  • organic oxygen compound
  • phosphoric acid ester
  • monoalkyl phosphate
  • pyrrole
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • indole-3-carbinol or derivatives
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound