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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:54:49 UTC
Update Date2025-03-21 18:04:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00050082
Frequency65.7
Structure
Chemical FormulaC13H15NO6
Molecular Mass281.0899
SMILESOCC1OC(Oc2cc3[nH]ccc3cc2O)C(O)C1O
InChI KeyYDENOPBEIWYYHD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetals
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monosaccharides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • phenol ethers
  • primary alcohols
  • pyrroles
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • phenol ether
  • indole
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • saccharide
  • acetal
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • primary alcohol
  • alcohol
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • oxacycle
  • organic oxygen compound
  • pyrrole
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound