Mol:FL4D1CGS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
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   -2.7856   -1.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0715   -0.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0715   -0.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.3572    0.2730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3572   -2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1519    0.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8769   -0.1474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6020    0.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6020    1.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.8769    2.3640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2604   -1.1197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8478   -1.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6411   -1.6075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4391   -1.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.0585   -1.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4957   -1.2233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6338   -0.8851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6970   -1.2698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1382   -1.7984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1179   -2.3640    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 
  3  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  4  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 12  1  6  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 
  6 18  1  0  0  0  0 
  8 19  1  1  0  0  0 
 15 20  1  0  0  0  0 
 16 21  1  0  0  0  0 
 22 23  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 22  1  0  0  0  0 
 22 28  1  0  0  0  0 
 27 29  1  0  0  0  0 
 26 30  1  0  0  0  0 
 23 19  1  0  0  0  0 
 31 32  1  0  0  0  0 
 25 31  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  35 
M  SMT   1 CH2OH 
M  SBV   1  35   -0.6990   -0.0358 
S  SKP  5 
ID	FL4D1CGS0001 
FORMULA	C21H22O11 
EXACTMASS	450.116211546 
AVERAGEMASS	450.39278 
SMILES	C(C1OC(C2=O)C(c(c4)cc(c(O)c4)O)Oc(c3)c(ccc(O)3)2)(O)C(O)C(O)C(O1)CO 
M  END