Mol:FL5FCAGS0001

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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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   -1.2632    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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    0.9626    0.3021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3366   -0.0798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.8151   -0.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7277    0.2717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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

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