Mol:FL3FF8GS0006

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
   -0.1986    0.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1986   -0.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5024   -1.0672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2035   -0.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2035    0.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5024    0.5519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9047   -1.0672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6056   -0.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6056    0.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9047    0.5519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9047   -1.8669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3065    0.5518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0209    0.1393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7356    0.5518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7356    1.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0209    1.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3065    1.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9155    0.6251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5313    1.3592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5024   -1.8479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8500    0.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2461   -0.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5041    0.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6502    0.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2540    0.7719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9961    0.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5730    0.0515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0230   -0.2801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7254   -0.3220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5921    1.7893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7098    0.9785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7356    0.9785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1969    1.8669    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 
 18  1  1  0  0  0  0 
  6 19  1  0  0  0  0 
  3 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 18  1  0  0  0  0 
 17 30  1  0  0  0  0 
 31 32  2  0  0  0  0 
 31 33  1  0  0  0  0 
 26 31  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  3  31  32  33 
M  SBL   1  1  36 
M  SMT   1 ^COOH 
M  SBV   1  36    0.7137   -0.6295 
S  SKP  5 
ID	FL3FF8GS0006 
FORMULA	C21H18O12 
EXACTMASS	462.07982604 
AVERAGEMASS	462.36042 
SMILES	C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c(O)1)cc(O)c(C(=O)2)c1OC(c(c(O)3)cccc3)=C2)O)O 
M  END