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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:28 UTC
Update Date2025-03-25 00:56:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02218603
Frequency0.5
Structure
Chemical FormulaC12H17NO6
Molecular Mass271.1056
SMILESCNCC1(O)OC(c2ccc(O)c(O)c2)C(O)C1O
InChI KeyQNIUBUDKMHUVPM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • dialkylamines
  • hemiacetals
  • hydrocarbon derivatives
  • monosaccharides
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • saccharide
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • organoheterocyclic compound
  • 1,2-diol
  • alcohol
  • secondary aliphatic amine
  • tetrahydrofuran
  • 1-hydroxy-4-unsubstituted benzenoid
  • secondary amine
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine