Mol:PR100835

 
  ISISHOST03240423032D 1   1.00000     0.00000  1083 
 
 12 12  0     1  0            999 V2000 
    0.5069   -0.1000    0.0000 C   0  0  0  0  0  0           0  0  0 
   -0.1690    0.2931    0.0000 C   0  0  0  0  0  0           0  0  0 
    1.1828    0.2931    0.0000 N   0  0  3  0  0  0           0  0  0 
    0.5069   -0.8793    0.0000 C   0  0  0  0  0  0           0  0  0 
   -0.8414   -0.1000    0.0000 C   0  0  1  0  0  0           0  0  0 
    1.8586   -0.1000    0.0000 C   0  0  0  0  0  0           0  0  0 
    1.1828    1.0759    0.0000 C   0  0  0  0  0  0           0  0  0 
    1.8586   -0.8793    0.0000 N   0  0  0  0  0  0           0  0  0 
   -1.5241    0.2931    0.0000 C   0  0  0  0  0  0           0  0  0 
   -0.8414   -0.8793    0.0000 N   0  0  0  0  0  0           0  0  0 
   -1.5207    1.0759    0.0000 O   0  0  0  0  0  0           0  0  0 
   -2.2000   -0.1034    0.0000 O   0  0  0  0  0  0           0  0  0 
  1  2  1  0     0  0 
  1  3  1  0     0  0 
  1  4  2  0     0  0 
  2  5  1  0     0  0 
  3  6  1  0     0  0 
  3  7  1  0     0  0 
  4  8  1  0     0  0 
  5  9  1  0     0  0 
  5 10  1  6     0  0 
  9 11  1  0     0  0 
  9 12  2  0     0  0 
  6  8  2  0     0  0 
S  SKP  7 
CAS_RN	368-16-1 
NAME	3-Methyl-L-histidine 
ID	PR100835 
FORMULA	C7H11N3O2 
EXACTMASS	169.085126611 
AVERAGEMASS	169.18125999999998 
SMILES	OC(=O)[C@@H](N)Cc(c1)n(C)cn1 
M  END