Mol:FL3FECGS0039

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 36 39  0  0  0  0  0  0  0  0999 V2000 
   -0.5852   -0.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5852   -0.9769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1291   -1.3893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8435   -0.9769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8435   -0.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1291    0.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5577   -1.3894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2722   -0.9770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2723   -0.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5579    0.2603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5577   -2.1626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9863    0.2603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7143   -0.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4424    0.2602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4423    1.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7142    1.5213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9863    1.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1304   -2.1089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3645    0.3207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.1703    1.5212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3879    0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8162   -0.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9931   -0.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1988   -0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7759    0.4807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4961    0.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.1703    0.1343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.6424   -0.3535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2468   -0.6672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9173    0.7020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7143    2.3618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.6855    0.7020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2388   -1.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4602   -2.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5383    1.3585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9667    1.2578    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 
  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 
  3 18  1  0  0  0  0 
 19  1  1  0  0  0  0 
 15 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 19  1  0  0  0  0 
 26 30  1  0  0  0  0 
 16 31  1  0  0  0  0 
 30 32  2  0  0  0  0 
 33 34  1  0  0  0  0 
  2 33  1  0  0  0  0 
 35 36  1  0  0  0  0 
 30 35  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  33  34 
M  SBL   1  1  37 
M  SMT   1 ^ OCH3 
M  SBV   1  37    0.6536    0.3774 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  35  36 
M  SBL   2  1  39 
M  SMT   2  OCH3 
M  SBV   2  39   -0.3790   -0.6565 
S  SKP  5 
ID	FL3FECGS0039 
FORMULA	C23H22O13 
EXACTMASS	506.10604078999995 
AVERAGEMASS	506.41298000000006 
SMILES	O=C(C(O1)C(O)C(O)C(O)C(Oc(c4)c(OC)c(c(c34)C(=O)C=C(O3)c(c2)ccc(c2O)O)O)1)OC 
M  END