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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:58:59 UTC
Update Date2025-03-25 00:53:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02198928
Frequency0.5
Structure
Chemical FormulaC14H17NO8
Molecular Mass327.0954
SMILESO=C1NC(OC2C(O)C(O)OC(CO)C2O)Oc2ccccc21
InChI KeyXBZCDFDNFGRSQF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzoxazines
Subclass benzoxazines
Direct Parent benzoxazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • carboxylic acid amide acetals
  • carboxylic acids and derivatives
  • hemiacetals
  • hydrocarbon derivatives
  • lactams
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • lactam
  • monosaccharide
  • carboxylic acid derivative
  • amide acetal
  • saccharide
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • orthocarboxylic acid derivative
  • oxane
  • primary alcohol
  • alcohol
  • azacycle
  • benzoxazine
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound