Mol:FL3FCACS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 33  0  0  0  0  0  0  0  0999 V2000 
   -2.4443   -0.7329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4443   -1.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7437   -1.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0432   -1.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0432   -0.7329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7437   -0.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3427   -1.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3579   -1.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3579   -0.7329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3427   -0.3284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3427   -2.5770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5585    2.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3211    1.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9976    1.1474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9889    0.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4055    0.9280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7895    1.6559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9517    2.5572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3842    2.7549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3634    0.4837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1014   -0.3526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8882   -0.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6748   -0.3526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6748    0.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8882    1.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1014    0.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4606    1.0095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7437   -2.7549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8310   -0.1613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4606    0.9293    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 
 12 13  1  1  0  0  0 
 13 14  1  1  0  0  0 
 15 14  1  1  0  0  0 
 15 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 12  1  0  0  0  0 
 12 18  1  0  0  0  0 
 13 19  1  0  0  0  0 
 14 20  1  0  0  0  0 
  6 15  1  0  0  0  0 
  9 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  2  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  2  0  0  0  0 
 26 21  1  0  0  0  0 
 24 27  1  0  0  0  0 
  3 28  1  0  0  0  0 
 29 30  1  0  0  0  0 
  1 29  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  29  30 
M  SBL   1  1  33 
M  SMT   1 ^ OCH3 
M  SBV   1  33    0.3867   -0.5716 
S  SKP  5 
ID	FL3FCACS0002 
FORMULA	C21H20O9 
EXACTMASS	416.11073223799997 
AVERAGEMASS	416.37809999999996 
SMILES	c(C(=O)4)(c(O)2)c(OC(=C4)c(c3)ccc(O)c3)c(c(c2)OC)C(C(O)1)OCC(O)C1O 
M  END