Mol:BMCCCC--t019

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 15 15  0  0  1  0  0  0  0  0999 V2000 
    3.2601    2.3363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9511    1.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7601    0.7975    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5691    1.3853    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    4.2601    2.3363    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    5.5201    1.0763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.7281    0.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.6791   -0.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.8870   -1.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.8381   -1.4981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0460   -2.4762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8479    3.1453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.0763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.3029   -3.1453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9971   -2.7852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  5 12  1  4  0  0  0 
  5  4  1  0  0  0  0 
  4  6  1  0  0  0  0 
  5  1  1  0  0  0  0 
  4  3  1  4  0  0  0 
  1  2  1  0  0  0  0 
  3  2  1  0  0  0  0 
  2 13  2  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 11 14  1  0  0  0  0 
 11 15  2  0  0  0  0 
 10 11  1  0  0  0  0 
S  SKP  7 
ID	BMCCCC--t019 
NAME	Dethiobiotin 
FORMULA	C10H18N2O3 
EXACTMASS	214.1317 
AVERAGEMASS	214.2616 
SMILES	OC(=O)CCCCCC(N1)C(C)NC(=O)1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01909 
M  END