Mol:BMCCPTFO0012

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Copyright: ARM project http://www.metabolome.jp/
 32 34  0  0  1  0  0  0  0  0999 V2000
    3.7321    3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2500    0.0000 N   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
    6.3301    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.7500    0.0000 C   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
    2.0000    3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.2500    0.0000 C   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
    9.7942   -0.2500    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
   10.6603    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -0.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.2583   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904   -3.2500    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
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 11 12  2  0  0  0  0
 17 20  1  0  0  0  0
 11  8  1  0  0  0  0
 20 21  1  0  0  0  0
  8  7  2  0  0  0  0
 20 28  2  0  0  0  0
  7  6  1  0  0  0  0
 23 21  1  0  0  0  0
  6  5  2  0  0  0  0
 23 24  1  1  0  0  0
  5 12  1  0  0  0  0
 24 25  1  0  0  0  0
  4 27  2  0  0  0  0
 23 22  1  0  0  0  0
  2 13  1  0  0  0  0
 22 30  1  0  0  0  0
  6  9  1  0  0  0  0
 22 29  2  0  0  0  0
  9 10  1  0  0  0  0
 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 10 14  1  0  0  0  0
 26 32  2  0  0  0  0
S  SKP  7
ID	BMCCPTFO0012
NAME	Folic acid
FORMULA	C19H19N7O6
EXACTMASS	441.1396
AVERAGEMASS	441.3977
SMILES	c(c21)(ncc(CNc(c3)ccc(c3)C(=O)N[C@H](CCC(O)=O)C(O)=O)n2)N=C(N)NC1=O
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00504
M  END

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