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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:46:31 UTC
Update Date2025-03-21 18:00:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00030155
Frequency123.4
Structure
Chemical FormulaC14H13NO3
Molecular Mass243.0895
SMILESOc1ccc(C2COc3cc(O)ccc3N2)cc1
InChI KeyVKKYMUVEOONJPE-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
  • alkyl aryl ethers
  • azacyclic compounds
  • benzene and substituted derivatives
  • benzomorpholines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alkylarylamines
    • Substituents
  • monocyclic benzene moiety
  • ether
  • azacycle
  • 1-hydroxy-2-unsubstituted benzenoid
  • benzoxazine
  • alkyl aryl ether
  • secondary amine
  • benzomorpholine
  • oxazinane
  • secondary aliphatic/aromatic amine
  • oxacycle
  • morpholine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound