Mol:BMMCBZ1Sm016

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 17 17  0  0  0  0  0  0  0  0999 V2000 
    3.7321   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9282    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.7942   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   10.6603    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.5263   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   10.6603    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  5  6  2  0  0  0  0 
  5  4  1  0  0  0  0 
  4  3  2  0  0  0  0 
  3  2  1  0  0  0  0 
  2  1  2  0  0  0  0 
  1  6  1  0  0  0  0 
  1  7  1  0  0  0  0 
  7 17  2  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 16  1  0  0  0  0 
 14 15  2  0  0  0  0 
S  SKP  7 
ID	BMMCBZ1Sm016 
NAME	N- [4- (Diaminomethylideneamino) butyl] benzamide 
CAS_RN	958733-14-7 
FORMULA	C12H18N4O 
EXACTMASS	234.148 
AVERAGEMASS	234.2976 
SMILES	NC(=N)NCCCCNC(=O)c(c1)cccc1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C02253 
M  END