Mol:FL2FACGM0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
   -0.8906   -0.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8906   -1.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1762   -1.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5383   -1.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5383   -0.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1762    0.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2528   -1.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9672   -1.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9672   -0.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2528    0.1865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6814    0.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4096   -0.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1378    0.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1378    1.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4096    1.4475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6814    1.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2528   -2.1619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1762   -2.2881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6051    0.1865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4096    2.2881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9374    1.2870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4745   -1.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3613    0.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9608    0.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1858    0.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4157    0.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8162    0.8362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5911    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.9374    0.6991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5767    0.3247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9336   -0.0741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0512    1.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0279    0.8190    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  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  7 17  2  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 14  1  0  0  0  0 
  2 22  1  0  0  0  0 
 23 24  1  1  0  0  0 
 24 25  1  1  0  0  0 
 26 25  1  1  0  0  0 
 26 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
 28 23  1  0  0  0  0 
 19 26  1  0  0  0  0 
 23 29  1  0  0  0  0 
 24 30  1  0  0  0  0 
 25 31  1  0  0  0  0 
 32 33  1  0  0  0  0 
 28 32  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  32  33 
M  SBL   1  1  36 
M  SMT   1 ^CH2OH 
M  SBV   1  36    0.4601   -0.4601 
S  SKP  5 
ID	FL2FACGM0001 
FORMULA	C22H24O11 
EXACTMASS	464.13186161 
AVERAGEMASS	464.41936000000004 
SMILES	O=C(c31)CC(c(c4)ccc(c4O)O)Oc(cc(c(c(O)3)C)OC(C(O)2)OC(CO)C(C2O)O)1 
M  END