Mol:FL3FAAGS0012

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
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    0.0041    0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4067   -1.0989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1080   -0.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1080    0.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4067    0.5207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4067   -1.9183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    4.2385    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -3.7750    1.7532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9084    1.9183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0843    1.0363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8505    1.8277    0.0000 O   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 
  1 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
 15 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 26  1  0  0  0  0 
 26 21  1  0  0  0  0 
 21 27  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 29  1  0  0  0  0 
 24 18  1  0  0  0  0 
 30 31  1  0  0  0  0 
 32 33  2  0  0  0  0 
 26 32  1  0  0  0  0 
 30 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  2  35  36 
M  SMT   1 ^CO 
M  SBV   1  35    0.3508   -0.5373 
M  SBV   1  36    0.3093    0.7169 
S  SKP  5 
ID	FL3FAAGS0012 
FORMULA	C22H20O11 
EXACTMASS	460.100561482 
AVERAGEMASS	460.3876 
SMILES	OC(C4O)C(OC(C(OC)=O)C(O)4)Oc(c3)cc(c(c3O)1)OC(c(c2)ccc(c2)O)=CC1=O 
M  END