Ketcher 02191815282D 1   1.00000     0.00000     0

 10 10  0     0  0            999 V2000
   26.2773  -17.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.8754  -19.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.1433  -15.6001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.8754  -18.6001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.1433  -16.6002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0095  -17.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0095  -18.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7415  -18.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8754  -16.6002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7415  -17.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0     0  0
  2  4  1  0     0  0
  3  5  1  0     0  0
  4  7  1  0     0  0
  4  8  2  0     0  0
  5  6  1  0     0  0
  6  7  2  0     0  0
  6  9  1  0     0  0
  8 10  1  0     0  0
  9 10  2  0     0  0
M  CHG  2   2  -1   4   1
M  END
> <ID>
CHEBI:89640

> <NAME>
Nicotinamide N-oxide

> <STAR>
2

> <SYNONYM>
Nicotinamide-N-oxide; Nicotinamide N1-oxide; Nicotinamide 1-oxide; 3-carbamoylpyridin-1-ium-1-olate; 1-Oxy-nicotinamide; 1-Oxide-nicotinamide; 1-Oxide-3-Pyridinecarboxamide; 1-Oxide-(8CI)-nicotinamide

> <FORMULA>
C6H6N2O2; C6H6N2O2

> <MASS>
138.124

> <MONOISOTOPIC_MASS>
138.04293

> <CHARGE>
0

> <SMILES>
O=C(N)C1=C[N+]([O-])=CC=C1

> <INCHI>
InChI=1S/C6H6N2O2/c7-6(9)5-2-1-3-8(10)4-5/h1-4H,(H2,7,9)

> <INCHIKEY>
USSFUVKEHXDAPM-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
1986-81-8

> <PUBMED_CITATION>
135660; 1491034

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