Ketcher 11081615572D 1   1.00000     0.00000     0

 17 19  0     0  0            999 V2000
   11.1786  -12.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1786  -13.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0278  -13.5365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9269  -13.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9269  -12.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0278  -11.5384    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7760  -13.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6252  -13.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6252  -12.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7760  -11.5384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3745  -11.3886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9749  -10.4395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9759  -10.5393    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4745   -9.5903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3735  -11.5883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3114  -11.5419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4617   -9.5985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  1  6  2  0     0  0
  4  7  2  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
  9 10  1  0     0  0
  5 10  2  0     0  0
  9 11  1  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 10 13  1  0     0  0
 12 14  1  0     0  0
 11 15  1  0     0  0
  1 16  1  0     0  0
 14 17  1  0     0  0
M  END
> <ID>
CHEBI:133915

> <NAME>
N-hydroxy-MeIQx

> <DEFINITION>
An imidazoquinoxaline that is 3H-imidazo[4,5-f]quinoxaline substituted at positions 3 and 8 by methyl groups and at position 2 by a hydroxyamino group. The active metabolite of the dietary carcinogen MeIQx.

> <STAR>
3

> <SYNONYM>
N-OH-MeIQx; N-hydroxy-methyl-IQX; 3,8-dimethyl-1,3-dihydro-2H-imidazo(4,5-f)quinoxalin-2-one oxime; 2-hydroxyamino-3,8-dimethylimidazo[4,5-f]quinoxaline

> <IUPAC_NAME>
N-(3,8-dimethyl-1,3-dihydro-2H-imidazo[4,5-f]quinoxalin-2-ylidene)hydroxylamine

> <FORMULA>
C11H11N5O

> <MASS>
229.238

> <MONOISOTOPIC_MASS>
229.09636

> <CHARGE>
0

> <SMILES>
C=1(C=NC=2C(N1)=C3C(=CC2)N(C(=N3)NO)C)C

> <INCHI>
InChI=1S/C11H11N5O/c1-6-5-12-7-3-4-8-10(9(7)13-6)14-11(15-17)16(8)2/h3-5,17H,1-2H3,(H,14,15)

> <INCHIKEY>
FVNCCTJGBOTWTM-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
115044-41-2

> <REAXYS_REGISTRY_NUMBER>
8146608

> <CHEMIDPLUS>
115044-41-2

> <KEGG_COMPOUND_ACCESSION>
C20291

> <PUBMED_CITATION>
10503894; 11258970; 11453738; 12351158; 1473228; 17627018; 19449459; 21194225; 21456541; 2462668; 7788858

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