Mol:FL5FACGS0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
   -2.9002    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9003    0.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1990   -0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4978    0.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4978    1.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1990    1.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7965   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0954    0.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0953    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7966    1.4133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7965   -0.9637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6056    1.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3202    1.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0349    1.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0348    2.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3202    2.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6057    2.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6011    1.4131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6398   -0.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9996   -0.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0557   -0.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9100   -1.1345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3886   -1.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3326   -1.7401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4783   -1.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4062   -0.0372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6950   -1.9300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6011   -2.1736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7493    2.6508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1990   -0.9025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3202    3.4760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3010   -2.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3971   -3.4760    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 
 20 21  1  0  0  0  0 
 21 22  1  1  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
 25 20  1  0  0  0  0 
 20 26  1  0  0  0  0 
 25 27  1  0  0  0  0 
 24 28  1  0  0  0  0 
 21 19  1  0  0  0  0 
 19  8  1  0  0  0  0 
 23 22  1  1  0  0  0 
 15 29  1  0  0  0  0 
  3 30  1  0  0  0  0 
 16 31  1  0  0  0  0 
 32 33  1  0  0  0  0 
 23 32  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  32  33 
M  SBL   1  1  36 
M  SMT   1  CH2OH 
M  SBV   1  36   -0.9124    0.6045 
S  SKP  5 
ID	FL5FACGS0005 
FORMULA	C21H20O12 
EXACTMASS	464.095476104 
AVERAGEMASS	464.37629999999996 
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)C(O)C1O 
M  END