Mol:FL3FFCGS0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 37  0  0  0  0  0  0  0  0999 V2000 
   -1.9210   -1.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9210   -2.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2199   -2.5459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5187   -2.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5187   -1.3316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2199   -0.9269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1822   -2.5459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8833   -2.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8833   -1.3316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1822   -0.9269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1822   -3.3776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5841   -0.9270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2986   -1.3395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0131   -0.9270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0131   -0.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2986    0.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5841   -0.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2986    1.0178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2199   -3.3536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6247   -0.8030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6552    0.2687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2039   -0.1787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8858    2.5528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2981    1.5745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5256    0.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0718    0.1878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8347    1.0721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6078    1.5584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4758    2.9429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6552    2.4027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5438   -0.0157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3469    2.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1223    2.2736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8340    3.3776    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 
 16 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
  1 20  1  0  0  0  0 
 21 15  1  0  0  0  0 
  6 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 
 23 29  1  0  0  0  0 
 24 30  1  0  0  0  0 
 25 31  1  0  0  0  0 
 26 22  1  0  0  0  0 
 32 33  2  0  0  0  0 
 32 34  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  3  32  33  34 
M  SBL   1  1  37 
M  SMT   1  COOH 
M  SBV   1  37   -0.2609   -0.9311 
S  SKP  5 
ID	FL3FFCGS0004 
FORMULA	C21H18O13 
EXACTMASS	478.07474066199995 
AVERAGEMASS	478.35982 
SMILES	C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c31)c(cc(O)c(C(=O)C=C(O3)c(c2)cc(c(O)c2)O)1)O)O)O 
M  END