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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:17 UTC
Update Date2025-03-25 00:54:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204180
Frequency0.5
Structure
Chemical FormulaC14H13NO2
Molecular Mass227.0946
SMILESOc1ccc(C2NCc3ccccc3O2)cc1
InChI KeyDOZUEQPCNIOKRQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzoxazines
Subclass benzoxazines
Direct Parent benzoxazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • benzene and substituted derivatives
  • dialkylamines
  • hydrocarbon derivatives
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
    • Substituents
  • secondary aliphatic amine
  • monocyclic benzene moiety
  • azacycle
  • 1-hydroxy-2-unsubstituted benzenoid
  • benzoxazine
  • secondary amine
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • amine