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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:36:42 UTC
Update Date2025-03-21 18:46:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00149544
Frequency32.4
Structure
Chemical FormulaC13H16N2O6
Molecular Mass296.1008
SMILESOCC1OC(Oc2ccc3[nH]cnc3c2)C(O)C(O)C1O
InChI KeyPFFIAICDHBCQPR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzimidazoles
Subclass benzimidazoles
Direct Parent benzimidazoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • monosaccharides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • phenol ether
  • azacycle
  • heteroaromatic compound
  • monosaccharide
  • oxacycle
  • saccharide
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • benzimidazole
  • imidazole
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • oxane
  • primary alcohol
  • organooxygen compound
  • azole