Mol:FL5FACGL0042

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 53 58  0  0  0  0  0  0  0  0999 V2000 
   -1.9208    0.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9208   -0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2196   -0.6755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5184   -0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5184    0.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2196    0.9439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1828   -0.6755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8840   -0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8840    0.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1828    0.9439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1828   -1.3069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5850    0.9437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2997    0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0144    0.9437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0144    1.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2997    2.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5850    1.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6218    0.9437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5679   -0.7210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2196   -1.4850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2095   -2.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7864   -2.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6002   -2.6652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4189   -2.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8421   -2.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0284   -2.3974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4237   -2.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5953   -0.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1721   -0.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9858   -0.6928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8045   -0.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2278   -0.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4140   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8932   -0.2807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0185    0.2365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8995   -0.3352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4992   -0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7298   -1.4132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2587   -2.7564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0271   -3.2370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4189   -3.6119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8134    2.2303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2997    3.0065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2319    1.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4399    0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6913    1.7043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4399    2.5890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2319    3.0463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9807    2.1670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8903    3.6119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4399    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.6504    2.6864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.8995    1.2461    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 
  8 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  1  0  0  0 
 23 24  1  1  0  0  0 
 25 24  1  1  0  0  0 
 25 26  1  0  0  0  0 
 26 21  1  0  0  0  0 
 21 27  1  0  0  0  0 
 28 29  1  0  0  0  0 
 29 30  1  1  0  0  0 
 30 31  1  1  0  0  0 
 32 31  1  1  0  0  0 
 32 33  1  0  0  0  0 
 33 28  1  0  0  0  0 
 28 34  1  0  0  0  0 
 33 35  1  0  0  0  0 
 32 36  1  0  0  0  0 
 31 37  1  0  0  0  0 
 25 38  1  0  0  0  0 
 37 38  1  0  0  0  0 
 22 39  1  0  0  0  0 
 23 40  1  0  0  0  0 
 24 41  1  0  0  0  0 
 29 19  1  0  0  0  0 
 42 15  1  0  0  0  0 
 16 43  1  0  0  0  0 
 45 44  1  1  0  0  0 
 45 46  1  0  0  0  0 
 46 47  1  0  0  0  0 
 47 48  1  0  0  0  0 
 48 49  1  1  0  0  0 
 49 44  1  1  0  0  0 
 48 50  1  0  0  0  0 
 47 51  1  0  0  0  0 
 49 52  1  0  0  0  0 
 44 53  1  0  0  0  0 
 45 18  1  0  0  0  0 
S  SKP  5 
ID	FL5FACGL0042 
FORMULA	C33H40O20 
EXACTMASS	756.21129372 
AVERAGEMASS	756.6587 
SMILES	C(C1O)(O)C(OCC(O2)C(O)C(C(O)C2OC(=C(c(c6)ccc(O)c(O)6)5)C(=O)c(c(O5)4)c(cc(c4)OC(C(O)3)OC(C)C(C3O)O)O)O)OC(C1O)C 
M  END