Mol:FL5FECGS0042

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 47 51  0  0  0  0  0  0  0  0999 V2000 
   -0.8770    0.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8770   -0.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1623   -0.7058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5524   -0.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5524    0.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1623    0.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2672   -0.7058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9817   -0.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9817    0.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2672    0.9448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2672   -1.5532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8818    1.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6099    0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3385    1.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3385    1.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6099    2.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8818    1.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1623   -1.5308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.1180    2.3946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6441    0.9847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7917   -0.8103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5859   -2.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2739   -2.5316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0556   -1.7677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2739   -0.9994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5859   -0.6022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8042   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6476   -1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7021   -2.8776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2462   -3.2067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5522   -2.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1355    1.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4608    0.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6748    1.4485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4608    2.2022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1355    2.5918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9215    1.8426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9306    3.2067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5007    2.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5462    2.2501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8927    1.0881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6099    3.2060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5218    1.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5218    2.1465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.1180    1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5836   -0.7011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6656   -1.2312    0.0000 C   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 
  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 
  3 18  1  0  0  0  0 
 19 15  1  0  0  0  0 
  4  3  1  0  0  0  0 
  1 20  1  0  0  0  0 
 21  8  1  0  0  0  0 
 23 22  1  1  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  1  0  0  0 
 27 22  1  1  0  0  0 
 27 28  1  0  0  0  0 
 22 29  1  0  0  0  0 
 23 30  1  0  0  0  0 
 24 31  1  0  0  0  0 
 26 21  1  0  0  0  0 
 33 32  1  1  0  0  0 
 33 34  1  0  0  0  0 
 34 35  1  0  0  0  0 
 35 36  1  0  0  0  0 
 36 37  1  1  0  0  0 
 37 32  1  1  0  0  0 
 36 38  1  0  0  0  0 
 35 39  1  0  0  0  0 
 37 40  1  0  0  0  0 
 32 41  1  0  0  0  0 
 20 33  1  0  0  0  0 
 16 42  1  0  0  0  0 
 43 44  2  0  0  0  0 
 43 45  1  0  0  0  0 
 43 41  1  0  0  0  0 
 46 47  1  0  0  0  0 
  2 46  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  46  47 
M  SBL   1  1  51 
M  SMT   1 ^OCH3 
M  SBV   1  51    0.7067    0.4079 
S  SKP  5 
ID	FL5FECGS0042 
FORMULA	C30H34O17 
EXACTMASS	666.179599662 
AVERAGEMASS	666.58076 
SMILES	c(O)(c5O)ccc(c5)C(O2)=C(C(c(c(O)4)c(cc(c4OC)OC(C3OC(C)=O)OC(C)C(C(O)3)O)2)=O)OC(C1O)OC(C(C(O)1)O)C 
M  END