Mol:BMCCPTPTk014

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  0  0  0  0  0  0999 V2000 
    3.7321    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9282    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9282   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.7942   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.6603   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.6603    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.7942    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.5263   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   11.5263   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   12.3923   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  3  4  1  0  0  0  0 
  3  2  1  0  0  0  0 
  2  1  2  0  0  0  0 
  1 11  1  0  0  0  0 
 12  4  1  0  0  0  0 
 11 12  2  0  0  0  0 
 11  8  1  0  0  0  0 
  8  7  1  0  0  0  0 
  7  6  1  0  0  0  0 
  6  5  2  0  0  0  0 
  5 12  1  0  0  0  0 
  4 21  2  0  0  0  0 
  2 13  1  0  0  0  0 
 16 15  2  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 19  1  0  0  0  0 
 19 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 20 22  1  0  0  0  0 
 20 23  2  0  0  0  0 
 17 20  1  0  0  0  0 
  6  9  1  0  0  0  0 
 14 10  1  0  0  0  0 
  9 10  1  0  0  0  0 
S  SKP  7 
ID	BMCCPTPTk014 
NAME	7,8-Dihydro-pteroic acid 
FORMULA	C14H14N6O3 
EXACTMASS	314.1127 
AVERAGEMASS	314.2996 
SMILES	OC(=O)c(c1)ccc(NCC(C3)=NC(C(=O)2)=C(N3)N=C(N)N2)c1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00921 
M  END