Mol:BMCCVE--0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 32  0  0  1  0  0  0  0  0999 V2000 
    3.0000   -4.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0000   -3.6292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    3.8660   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7321   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5981   -5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5981   -6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7321   -6.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8660   -6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5000   -2.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0000   -1.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5000   -1.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0000   -0.1651    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    2.5000    0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0000    1.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5000    2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0000    3.2990    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    2.5000    4.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0000    5.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5000    5.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0000    6.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8660   -5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7321   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.4641   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.4641   -6.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7321   -7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0000   -6.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0000   -0.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0000    3.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0000    6.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5000    7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 21 22  1  0  0  0  0 
 21  1  1  0  0  0  0 
 21  8  2  0  0  0  0 
 22  4  1  0  0  0  0 
 22  5  2  0  0  0  0 
  1  2  1  0  0  0  0 
  8  7  1  0  0  0  0 
  8 27  1  0  0  0  0 
  4  3  1  0  0  0  0 
  5  6  1  0  0  0  0 
  5 24  1  0  0  0  0 
  2  9  1  0  0  0  0 
  2 23  1  4  0  0  0 
  7 26  1  0  0  0  0 
  6 25  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 12 28  1  4  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 16 29  1  4  0  0  0 
 17 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 30  1  0  0  0  0 
 20 31  1  0  0  0  0 
  2  3  1  0  0  0  0 
  7  6  2  0  0  0  0 
S  SKP  7 
ID	BMCCVE--0001 
NAME	alpha-Tocopherol 
FORMULA	C29H50O2 
EXACTMASS	430.381 
AVERAGEMASS	430.7061 
SMILES	C(C(C)CCCC(CCCC(O1)(CCc(c(C)2)c1c(c(c(O)2)C)C)C)C)CCC(C)C 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C02477 
M  END