Mol:FL63ACGS0013

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 33  0  0  0  0  0  0  0  0999 V2000 
   -1.1057   -0.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1057   -0.9674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3912   -1.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3232   -0.9674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3232   -0.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3912    0.2701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0377   -1.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7521   -0.9674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7521   -0.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0377    0.2701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4666    0.2701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1870   -0.1459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9073    0.2701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9073    1.1018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1870    1.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4666    1.1018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5968    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8201    0.2701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4666   -1.3799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3912   -2.2029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2097   -0.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5516   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7028   -0.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1841   -0.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1659   -0.0004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5516   -1.4281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7028   -1.4290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1870    2.2029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5516   -0.3946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5968   -0.0413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  4  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 
 10  5  1  0  0  0  0 
  9 11  1  6  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
 17 14  1  0  0  0  0 
  1 18  1  0  0  0  0 
  8 19  1  1  0  0  0 
  3 20  1  0  0  0  0 
 21 22  1  1  0  0  0 
 22 23  1  1  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
 25 21  1  0  0  0  0 
 22 26  1  0  0  0  0 
 23 27  1  0  0  0  0 
 24 18  1  0  0  0  0 
 15 28  1  0  0  0  0 
 29 30  1  0  0  0  0 
 22 29  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  29  30 
M  SBL   1  1  33 
M  SMT   1  CH2OH 
M  SBV   1  33    0.0000   -0.4054 
S  SKP  5 
ID	FL63ACGS0013 
FORMULA	C20H22O10 
EXACTMASS	422.121296924 
AVERAGEMASS	422.38268000000005 
SMILES	C(O)C(C1O)(COC1Oc(c4)cc(c2c4O)OC(c(c3)cc(c(O)c3)O)C(O)C2)O 
M  END