Mol:BMACIZAMm001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 17 17  0  0  1  0  0  0  0  0999 V2000 
    2.3090    1.6981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    0.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8090    0.1592    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6180    0.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3090    1.6981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5691    0.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.3122    1.1071    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    5.1043    2.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.2633    0.7981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    6.4712   -0.1801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.4223   -0.4891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.6302   -1.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.5812   -1.7762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.7891   -2.7544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1533    2.3943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.8475    2.7544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.7281   -0.8492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  4  6  1  0  0  0  0 
  4  5  2  0  0  0  0 
  4  3  1  0  0  0  0 
  7  6  1  0  0  0  0 
  5  1  1  0  0  0  0 
  3  2  2  0  0  0  0 
  7  9  1  1  0  0  0 
  7  8  1  0  0  0  0 
  9 10  1  0  0  0  0 
  8 15  1  0  0  0  0 
  8 16  2  0  0  0  0 
 10 11  1  0  0  0  0 
 10 17  2  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 
  1  2  1  0  0  0  0 
S  SKP  7 
ID	BMACIZAMm001 
NAME	L-Homocarnosine 
FORMULA	C10H16N4O3 
EXACTMASS	240.1222 
AVERAGEMASS	240.2592 
SMILES	NCCCC(=O)N[C@H](C(O)=O)Cc(c1)ncn1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00884 
M  END