Mol:FL5FCAGS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
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   -2.6656    0.7527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.2633    0.7527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2632    1.5623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9643    1.9670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5622    0.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1389    0.7526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1390    1.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5621    1.9671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5622   -0.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8398    1.9669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5543    1.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2688    1.9668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2688    2.7919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5542    3.2046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8399    2.7919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.3929   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2470   -0.8071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7255   -1.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6693   -1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.9799   -1.7732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8957   -1.8047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9831    3.2043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6520   -2.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9211   -3.2046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2910    1.9234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9211    3.0149    0.0000 C   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 
  3 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 
 30 31  1  0  0  0  0 
 23 30  1  0  0  0  0 
 32 33  1  0  0  0  0 
  1 32  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   -0.9265    0.5349 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  32  33 
M  SBL   2  1  36 
M  SMT   2 ^ OCH3 
M  SBV   2  36    0.6254   -0.3611 
S  SKP  5 
ID	FL5FCAGS0001 
FORMULA	C22H22O11 
EXACTMASS	462.116211546 
AVERAGEMASS	462.40348000000006 
SMILES	c(c4)(ccc(c4)C(O2)=C(C(=O)c(c3O)c2cc(c3)OC)OC(O1)C(O)C(C(C(CO)1)O)O)O 
M  END