Mol:BMCCPUADq017

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 16 17  0  0  0  0  0  0  0  0999 V2000 
    5.4641   -0.4587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -0.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -1.9587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -2.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -1.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -0.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8549   -2.6278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2617   -3.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2562   -3.4368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -0.4587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    0.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    2.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    2.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    2.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    3.5413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  6  2  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  5  6  1  0  0  0  0 
  5  4  2  0  0  0  0 
  9  8  1  0  0  0  0 
  8  7  2  0  0  0  0 
  7  5  1  0  0  0  0 
  4  9  1  0  0  0  0 
  6 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 13 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
S  SKP  7 
ID	BMCCPUADq017 
NAME	Zeatin 
FORMULA	C10H13N5O 
EXACTMASS	219.112 
AVERAGEMASS	219.2433 
SMILES	OCC(C)=CCNc(n2)c(n1)c(nc2)nc1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00371 
M  END