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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:15 UTC
Update Date2025-03-25 00:50:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183622
Frequency0.5
Structure
Chemical FormulaC14H14N2O11
Molecular Mass386.0598
SMILESO=C1Nc2cc([N+](=O)[O-])ccc2OC1OC1OC(C(=O)O)C(O)C(O)C1O
InChI KeyMHXJRLOBMFMTBO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent o-glucuronides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • azacyclic compounds
  • benzenoids
  • benzomorpholines
  • benzoxazinones
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • lactams
  • monocarboxylic acids and derivatives
  • monosaccharides
  • nitroaromatic compounds
  • 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
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • lactam
  • carboxylic acid
  • allyl-type 1,3-dipolar organic compound
  • o-glucuronide
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • benzomorpholine
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • 1-o-glucuronide
  • beta-hydroxy acid
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • organic oxoazanium
  • oxane
  • organoheterocyclic compound
  • nitroaromatic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • azacycle
  • benzoxazine
  • organic 1,3-dipolar compound
  • hydroxy acid
  • carboxamide group
  • oxazinane
  • oxacycle
  • secondary carboxylic acid amide
  • morpholine
  • monocarboxylic acid or derivatives
  • benzoxazinone
  • pyran
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organic hyponitrite