Mol:FL3FAACS0085

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 44 48  0  0  0  0  0  0  0  0999 V2000 
    1.4377   -1.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7233   -1.0065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0088   -1.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0088   -2.2440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7233   -2.6565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4377   -2.2440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7057   -1.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4201   -1.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4201   -2.2440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7057   -2.6565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7233   -3.2285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2391   -0.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9536   -1.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6681   -0.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6681   -0.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9536    0.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2391   -0.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3515    0.2633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7057   -3.4265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1106   -1.0203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2191    1.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7077    1.0647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1953    0.4178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0841   -0.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5954    0.2651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1078    0.9122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7982    1.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9163    2.1005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8920    1.5644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6439   -0.3011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0457    2.1086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1698    0.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1808    0.6672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6557   -0.2739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3745    2.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1998    2.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6066    2.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3887    1.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5634    1.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1565    2.0797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9455    1.2145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3515    2.4019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1998    3.4265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6350    3.2977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  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  1  0  0  0  0 
  6  1  2  0  0  0  0 
  3  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10  4  1  0  0  0  0 
  5 11  2  0  0  0  0 
  1 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 
 15 18  1  0  0  0  0 
 10 19  1  0  0  0  0 
  8 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 
 26 27  1  0  0  0  0 
 27 31  1  0  0  0  0 
 21 28  1  0  0  0  0 
 22 29  1  0  0  0  0 
 23 30  1  0  0  0  0 
  7 24  1  0  0  0  0 
 30 32  1  0  0  0  0 
 32 33  2  0  0  0  0 
 32 34  1  0  0  0  0 
 35 36  1  0  0  0  0 
 36 37  1  1  0  0  0 
 38 37  1  1  0  0  0 
 39 38  1  1  0  0  0 
 39 40  1  0  0  0  0 
 40 35  1  0  0  0  0 
 38 41  1  0  0  0  0 
 37 42  1  0  0  0  0 
 36 43  1  0  0  0  0 
 35 44  1  0  0  0  0 
 39 28  1  0  0  0  0 
S  SKP  5 
ID	FL3FAACS0085 
FORMULA	C29H32O15 
EXACTMASS	620.174120354 
AVERAGEMASS	620.55538 
SMILES	O(C(O5)C(C(O)C(C5C)O)O)C(C(CO)4)C(C(OC(C)=O)C(O4)c(c(O)3)c(c(c(O)c3)1)OC(c(c2)ccc(c2)O)=CC1=O)O 
M  END