Mol:FLII1CNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 21 23  0  0  0  0  0  0  0  0999 V2000 
   -0.8752   -0.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8752    0.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3218    0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7683    0.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7683   -0.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3218   -0.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3848   -0.2362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0818    0.1810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3848    0.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4325    0.1810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6862   -0.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1935   -0.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4472    0.1810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1935    0.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6862    0.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4332   -0.6966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2149    0.6966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4828    0.0779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4602    0.2895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7683    0.1565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4828   -0.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  1  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9  2  1  0  0  0  0 
  8 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11 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 10  1  0  0  0  0 
 11 16  1  0  0  0  0 
  4 17  1  0  0  0  0 
  5 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 13 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  20  21 
M  SBL   2  1  22 
M  SMT   2  OCH3 
M  SVB   2 22    1.7683    0.1565 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  18  19 
M  SBL   1  1  20 
M  SMT   1  OCH3 
M  SVB   1 20   -2.4828    0.0779 
S  SKP  8 
ID	FLII1CNS0001 
KNApSAcK_ID	C00002409 
NAME	Sainfuran 
CAS_RN	90664-32-7 
FORMULA	C16H14O5 
EXACTMASS	286.084123558 
AVERAGEMASS	286.27936 
SMILES	COc(c3)cc(O)c(c3)c(c1)oc(c2)c(cc(O)c(OC)2)1 
M  END