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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:42:41 UTC
Update Date2025-03-21 18:49:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00163766
Frequency14.5
Structure
Chemical FormulaC8H9NO
Molecular Mass135.0684
SMILESc1ccc2c(c1)CNCO2
InChI KeyWTAVYBAEMMFITK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzoxazines
Subclass benzoxazines
Direct Parent benzoxazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • dialkylamines
  • hydrocarbon derivatives
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
    • Substituents
  • secondary aliphatic amine
  • azacycle
  • benzoxazine
  • secondary amine
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • amine