Mol:FL5FACGS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
   -2.4681    1.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4681    0.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7536    0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0391    0.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0391    1.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7536    1.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3247    0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3898    0.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3898    1.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3247    1.7878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3247   -0.5055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1040    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8321    1.3672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5603    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5603    2.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8321    3.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1040    2.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1823    1.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7536   -0.6869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1823    3.1638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1040    0.1380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8321    3.8894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8193   -1.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2448   -2.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7274   -2.0733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0965   -1.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1697   -1.2647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2457   -0.9316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7176   -2.7918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8232   -2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2826   -3.8894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  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 12  1  0  0  0  0 
  1 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
 20 15  1  0  0  0  0 
  8 21  1  0  0  0  0 
 16 22  1  0  0  0  0 
 23 24  1  1  0  0  0 
 24 25  1  1  0  0  0 
 26 25  1  1  0  0  0 
 26 27  1  0  0  0  0 
 27 23  1  0  0  0  0 
 24 28  1  0  0  0  0 
 25 29  1  0  0  0  0 
 26 21  1  0  0  0  0 
 30 31  1  0  0  0  0 
 23 30  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  30  31 
M  SBL   1  1  34 
M  SMT   1  CH2OH 
M  SBV   1  34    0.0038    1.0676 
S  SKP  5 
ID	FL5FACGS0001 
FORMULA	C20H18O11 
EXACTMASS	434.084911418 
AVERAGEMASS	434.35032 
SMILES	O(C(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)C(C(O)1)OC(CO)C1O 
M  END