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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:00 UTC
Update Date2025-03-25 00:50:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183047
Frequency0.5
Structure
Chemical FormulaC12H17NO9S
Molecular Mass351.0624
SMILESO=S(=O)(O)OCC1OC(O)C(Nc2ccc(O)cc2)C(O)C1O
InChI KeyCSIOTFCVDVYKDD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent phenylalkylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl sulfates
  • benzene and substituted derivatives
  • hemiacetals
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
  • secondary alkylarylamines
  • sulfuric acid monoesters
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • saccharide
  • organic oxide
  • alkyl sulfate
  • organopnictogen compound
  • hemiacetal
  • oxane
  • organoheterocyclic compound
  • 1,2-diol
  • alcohol
  • organic sulfuric acid or derivatives
  • secondary amine
  • secondary aliphatic/aromatic amine
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • phenylalkylamine
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • sulfuric acid ester
  • organooxygen compound