Mol:BMAXDP--0012

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 16 16  0  0  1  0  0  0  0  0999 V2000 
    2.3090    1.2090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    0.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8090   -0.3299    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6180    0.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3090    1.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5691   -0.0511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.3122    0.6180    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    5.1043    1.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.2633    0.3090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    6.4712   -0.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.4223   -0.9781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.6302   -1.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.5812   -2.2653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1533    1.9052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.8475    2.2653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.7281   -1.3383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 13 12  1  0  0  0  0 
 12 11  1  0  0  0  0 
 11 10  1  0  0  0  0 
 10  9  1  0  0  0  0 
 10 16  2  0  0  0  0 
  7  9  1  1  0  0  0 
  7  6  1  0  0  0  0 
  6  4  1  0  0  0  0 
  4  3  1  0  0  0  0 
  3  2  1  0  0  0  0 
  2  1  2  0  0  0  0 
  1  5  1  0  0  0  0 
  5  4  2  0  0  0  0 
  8 14  1  0  0  0  0 
  8 15  2  0  0  0  0 
  7  8  1  0  0  0  0 
S  SKP  7 
ID	BMAXDP--0012 
NAME	L-Carnosine 
FORMULA	C9H14N4O3 
EXACTMASS	226.1065 
AVERAGEMASS	226.2326 
SMILES	NCCC(=O)N[C@@H](Cc(c1)ncn1)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00386 
M  END