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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:29 UTC
Update Date2025-03-25 00:48:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02170387
Frequency0.5
Structure
Chemical FormulaC21H26N2O
Molecular Mass322.2045
SMILESCCCCCCCCc1ccc(Nc2nc3ccccc3o2)cc1
InChI KeyYQLQTVYIUNAGIF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzoxazoles
Subclass benzoxazoles
Direct Parent benzoxazoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxazoles
  • secondary amines
    • Substituents
  • monocyclic benzene moiety
  • azacycle
  • benzoxazole
  • heteroaromatic compound
  • oxazole
  • secondary amine
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • amine
  • azole