Mol:FL3FACDS0011

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 54 59  0  0  0  0  0  0  0  0999 V2000 
   -1.0182   -1.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0182   -2.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3037   -2.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4108   -2.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4108   -1.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3037   -0.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1252   -2.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8397   -2.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8397   -1.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1252   -0.8437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1252   -3.1369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7324   -0.8439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3037   -3.3183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7127   -0.7113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4657   -1.1461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2186   -0.7113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2186    0.1580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4657    0.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7127    0.1580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7912    0.7484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6325   -2.1607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1558   -2.7898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4693   -2.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8070   -2.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2883   -2.0343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8889   -2.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1446   -2.4563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7278   -2.7898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8707   -2.9847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.6856   -3.3432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2088   -3.9723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5224   -3.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8601   -3.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3414   -3.2168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9420   -3.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.1436   -3.8012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.6906   -4.1014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9753   -4.0213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4424    3.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7789    2.8400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2511    2.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4019    1.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8847    1.9461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3699    2.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9841    4.1014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6545    3.5450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0076    1.3926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9709   -1.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4715   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.6984   -2.6245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4795   -1.7606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7176   -1.4190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7028    3.1858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.6984    2.8233    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 
  1 12  1  0  0  0  0 
  3 13  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 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 14  1  0  0  0  0 
  9 14  1  0  0  0  0 
 17 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  2  1  0  0  0  0 
 30 31  1  1  0  0  0 
 31 32  1  1  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 30  1  0  0  0  0 
 30 36  1  0  0  0  0 
 31 37  1  0  0  0  0 
 32 38  1  0  0  0  0 
 33 29  1  0  0  0  0 
 39 40  1  1  0  0  0 
 40 41  1  1  0  0  0 
 42 41  1  1  0  0  0 
 42 43  1  0  0  0  0 
 43 44  1  0  0  0  0 
 44 39  1  0  0  0  0 
 39 45  1  0  0  0  0 
 40 46  1  0  0  0  0 
 41 47  1  0  0  0  0 
 20 42  1  0  0  0  0 
 16 48  1  0  0  0  0 
 49 50  1  0  0  0  0 
 35 49  1  0  0  0  0 
 51 52  1  0  0  0  0 
 26 51  1  0  0  0  0 
 53 54  1  0  0  0  0 
 44 53  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  49  50 
M  SBL   1  1  55 
M  SMT   1 ^ CH2OH 
M  SBV   1  55    0.5295   -0.5295 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  51  52 
M  SBL   2  1  57 
M  SMT   2 ^ CH2OH 
M  SBV   2  57    0.5906   -0.5906 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  53  54 
M  SBL   3  1  59 
M  SMT   3  CH2OH 
M  SBV   3  59   -0.3329   -0.5766 
S  SKP  5 
ID	FL3FACDS0011 
FORMULA	C33H40O21 
EXACTMASS	772.206208342 
AVERAGEMASS	772.6581 
SMILES	OC(C1OC(C(O)6)OC(CO)C(C(O)6)O)C(O)C(CO)OC1c(c(O)2)c(cc(O3)c2C(=O)C=C3c(c4)ccc(OC(O5)C(C(C(C5CO)O)O)O)c4O)O 
M  END