Mol:BMCCPTFOs005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  1  0  0  0  0  0999 V2000 
    9.9345    5.4385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   10.8005    4.9385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.8005    3.9385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    9.9345    3.4385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.2024    3.4385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    7.3364    3.9385    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    7.3364    4.9385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.2024    5.4385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    7.9945    2.4603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.0000    2.3558    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    9.0685    4.9385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.0685    3.9385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.6665    5.4385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    6.5933    3.2693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.5000    1.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.0000    0.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.5000   -0.2423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5000   -0.2423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0000    0.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5000    1.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0000   -1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0000   -1.1083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5000   -1.9744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5000   -1.9744    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    4.0000   -2.8404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5000   -3.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0000   -4.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.9345    2.4385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5000   -1.9744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -2.8404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -1.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5000   -5.4385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0000   -4.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  1  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4 12  1  0  0  0  0 
 11  1  1  0  0  0  0 
 12 11  2  0  0  0  0 
 12  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8 11  1  0  0  0  0 
  4 28  2  0  0  0  0 
  2 13  1  0  0  0  0 
 10 15  1  0  0  0  0 
 18 19  2  0  0  0  0 
 18 17  1  0  0  0  0 
 17 16  2  0  0  0  0 
 16 15  1  0  0  0  0 
 15 20  2  0  0  0  0 
 20 19  1  0  0  0  0 
 18 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 21 29  2  0  0  0  0 
 24 22  1  0  0  0  0 
 24 25  1  6  0  0  0 
 23 31  1  0  0  0  0 
 23 30  2  0  0  0  0 
 24 23  1  0  0  0  0 
 25 26  1  0  0  0  0 
 27 33  1  0  0  0  0 
 27 32  2  0  0  0  0 
 26 27  1  0  0  0  0 
  5  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
  6 14  1  4  0  0  0 
 10 14  1  0  0  0  0 
S  SKP  7 
ID	BMCCPTFOs005 
NAME	5,10-Methylene-tetrahydro-folic acid 
FORMULA	C20H23N7O6 
EXACTMASS	457.1709 
AVERAGEMASS	457.4402 
SMILES	c(c1)c(ccc1N(C4)CN(C34)C(=C2NC3)C(NC(N)=N2)=O)C(N[C@H](CCC(O)=O)C(O)=O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00143 
M  END