Mol:BMCCCC--t013

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 16 17  0  0  1  0  0  0  0  0999 V2000 
    7.6302   -2.0879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    6.8212   -2.6757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.0121   -2.0879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    6.0121   -0.1858    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    6.8212    0.4020    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
    7.6302   -0.1858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.3212   -1.1369    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    6.3212   -1.1369    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    5.0611    0.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8532    1.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9021    1.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6942    2.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7431    2.6975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.8212   -3.6757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    2.0284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5352    3.6757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 10 11  1  0  0  0  0 
  8  3  1  6  0  0  0 
  3  2  1  0  0  0  0 
  2  1  1  0  0  0  0 
  7  1  1  0  0  0  0 
 13 15  1  0  0  0  0 
  9 10  1  0  0  0  0 
 13 16  2  0  0  0  0 
 11 12  1  0  0  0  0 
  8  7  1  0  0  0  0 
  7  6  1  6  0  0  0 
  6  5  1  0  0  0  0 
  4  5  1  0  0  0  0 
  4  8  1  0  0  0  0 
  4  9  1  6  0  0  0 
  2 14  2  0  0  0  0 
 12 13  1  0  0  0  0 
S  SKP  7 
ID	BMCCCC--t013 
NAME	Biotin 
FORMULA	C10H16N2O3S 
EXACTMASS	244.0881 
AVERAGEMASS	244.3117 
SMILES	OC(=O)CCCC[C@H](S1)[C@@H](N2)[C@@H](NC(=O)2)C1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00120 
M  END