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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:31:54 UTC
Update Date2025-03-21 20:58:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00418739
Frequency4.3
Structure
Chemical FormulaC8H7NO
Molecular Mass133.0528
SMILESC1=Nc2ccccc2OC1
InChI KeyPVTXJGJDOHYFOX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzoxazines
Subclass benzoxazines
Direct Parent benzoxazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • azacyclic compounds
  • benzenoids
  • hydrocarbon derivatives
  • imines
  • organopnictogen compounds
  • oxacyclic compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • ether
  • azacycle
  • imine
  • benzoxazine
  • organic 1,3-dipolar compound
  • alkyl aryl ether
  • propargyl-type 1,3-dipolar organic compound
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound