Mol:FL5FAAGS0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
   -2.9587    0.8612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9587    0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2576   -0.3531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5565    0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5565    0.8612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2576    1.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8554   -0.3531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1543    0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1543    0.8612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8554    1.2660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8554   -1.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5466    1.2659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2612    0.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9757    1.2659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9757    2.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2612    2.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5466    2.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6596    1.2659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2576   -1.0472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6832   -0.4150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8245   -0.4644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1475   -0.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9058   -1.0451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4533   -1.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1303   -1.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3720   -1.0285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2577   -0.2076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6303   -1.7295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6160   -1.4715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6900    2.5034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2436   -1.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6596   -2.5035    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 
  3 19  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  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 
 26 28  1  0  0  0  0 
 25 29  1  0  0  0  0 
 22 20  1  0  0  0  0 
 20  8  1  0  0  0  0 
 15 30  1  0  0  0  0 
 24 23  1  1  0  0  0 
 31 32  1  0  0  0  0 
 24 31  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  35 
M  SMT   1 CH2OH 
M  SBV   1  35   -0.7904    0.1739 
S  SKP  5 
ID	FL5FAAGS0004 
FORMULA	C21H20O11 
EXACTMASS	448.100561482 
AVERAGEMASS	448.3769 
SMILES	O(C(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)ccc(O)c2)C(C(O)1)OC(CO)C(O)C1O 
M  END