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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:19 UTC
Update Date2025-03-25 00:51:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02186052
Frequency0.5
Structure
Chemical FormulaC15H16NO11+
Molecular Mass386.0718
SMILESO=C(C=Cc1ccc(O)c([N+](=O)O)c1)OC1OC(C(=O)O)C(O)C(O)C1O
InChI KeyIWVSKCNUWJLZOZ-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent o-glucuronides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetals
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • enoate esters
  • fatty acid esters
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • hydroxycinnamic acids
  • monosaccharides
  • nitroaromatic compounds
  • nitrobenzenes
  • nitrophenols
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • propargyl-type 1,3-dipolar organic compounds
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • monocyclic benzene moiety
  • carboxylic acid
  • o-glucuronide
  • monosaccharide
  • pyran carboxylic acid
  • 1-o-glucuronide
  • alpha,beta-unsaturated carboxylic ester
  • beta-hydroxy acid
  • acetal
  • c-nitro compound
  • organonitrogen compound
  • oxane
  • organoheterocyclic compound
  • nitrobenzene
  • nitroaromatic compound
  • enoate ester
  • alcohol
  • organic 1,3-dipolar compound
  • fatty acid ester
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • organic hyponitrite
  • fatty acyl
  • carbonyl group
  • aromatic heteromonocyclic compound
  • allyl-type 1,3-dipolar organic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • hydroxycinnamic acid or derivatives
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • cinnamic acid or derivatives
  • organic oxide
  • organopnictogen compound
  • organic oxoazanium
  • nitrophenol
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • hydroxycinnamic acid
  • oxacycle
  • pyran
  • secondary alcohol
  • benzenoid
  • organic nitrogen compound