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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:00:40 UTC
Update Date2025-03-21 18:06:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00063749
Frequency48.4
Structure
Chemical FormulaC7H7NO
Molecular Mass121.0528
SMILESc1ccc2c(c1)NCO2
InChI KeyHRCMXYXVAWHBTH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzoxazolines
Subclass benzoxazolines
Direct Parent benzoxazolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • hydrocarbon derivatives
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alkylarylamines
    • Substituents
  • azacycle
  • benzoxazoline
  • secondary amine
  • secondary aliphatic/aromatic amine
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • amine