Mol:FL4DACGS0009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
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   -1.9738   -0.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6881    0.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.5453   -0.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.6995    1.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.7186   -1.8659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.9291   -1.3780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4694   -1.2344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5046   -0.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5870   -1.2383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0406   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0203   -2.3323    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  1  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  6  0  0  0 
 15 20  1  0  0  0  0 
  2 21  1  0  0  0  0 
 16 22  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  1  0  0  0 
 25 26  1  1  0  0  0 
 27 26  1  1  0  0  0 
 27 28  1  0  0  0  0 
 28 23  1  0  0  0  0 
 23 29  1  0  0  0  0 
 28 30  1  0  0  0  0 
 27 31  1  0  0  0  0 
 24 19  1  0  0  0  0 
 32 33  1  0  0  0  0 
 26 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   -0.7308   -0.0992 
S  SKP  5 
ID	FL4DACGS0009 
FORMULA	C21H22O12 
EXACTMASS	466.111126168 
AVERAGEMASS	466.39218 
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