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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:16:23 UTC
Update Date2025-03-25 00:59:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02238683
Frequency0.5
Structure
Chemical FormulaC18H17NO7
Molecular Mass359.1005
SMILESO=C(O)C1OC(N2c3ccccc3Oc3ccccc32)C(O)C(O)C1O
InChI KeyKKHHDRJKYIFUAB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzoxazines
Subclass phenoxazines
Direct Parent n-substituted phenoxazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • diarylethers
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • n-glucuronides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • diaryl ether
  • carbonyl group
  • ether
  • carboxylic acid
  • glucuronic acid or derivatives
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • n-glucuronide
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • alcohol
  • pyran carboxylic acid or derivatives
  • azacycle
  • hydroxy acid
  • oxacycle
  • n-substituted phenoxazine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound