Mol:003b FLIA

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 36  0  0  0  0  0  0  0  0999 V2000 
   -2.1958   -1.0724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9103    0.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9103    0.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.4813    0.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.0525    0.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -4.9204    1.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.1339    0.7735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    4.3090   -0.6860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7215    0.0285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.1339   -0.6860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7215   -1.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  2  3  1  0 
  3  4  2  0 
  4  5  1  0 
  5  6  2  0 
  6  7  1  0 
  7  2  2  0 
  5  8  1  0 
  8  9  1  0 
 10  6  1  0 
  9 11  1  0 
 11 12  2  0 
 12 13  1  0 
 13 14  2  0 
 15 16  2  0 
 16 11  1  0 
  8 17  2  0 
  9 18  2  0 
 18 10  1  0 
  3 19  1  0 
 19 20  2  0 
  2 21  1  0 
 21 22  1  0 
 22 20  1  0 
 22 23  1  0 
 22 24  1  0 
  4  1  1  0 
 25 26  1  0 
 26 27  1  0 
 14 25  1  0 
 15 27  1  0 
 15 14  1  0 
 27 28  1  4 
 26 29  1  4 
 29 30  1  0 
 29 31  1  0 
 29 32  1  0 
S  SKP  5 
ID	003b FLIA 
FORMULA	C25H24O7 
EXACTMASS	436.152203122 
AVERAGEMASS	436.45385999999996 
SMILES	CC(C)(C=5)Oc(c1)c(C5)c(O)c(C(=O)2)c(OC=C(c(c4)cc(C(O)3)c(c4)OC(C(C)(C)O)3)2)1 
M  END