Mol:FL3FCBCS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
   -1.8333    0.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8333   -0.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1498   -1.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4663   -0.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4663    0.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1498    0.4689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2173   -1.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9008   -0.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9008    0.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2173    0.4689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2173   -1.7249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1498   -1.8985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7360    0.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4563    0.1796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1765    0.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1765    1.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4563    1.8430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7360    1.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7023   -0.6029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0688   -1.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4353   -0.9323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5737   -1.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1819   -0.4762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8661   -0.8056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5146    0.1518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7742   -1.3533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8292   -1.4259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2722    0.8345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8865    1.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8964    1.8427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7742    1.3359    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 
  3 12  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 13  1  0  0  0  0 
  9 13  1  0  0  0  0 
 19 20  1  1  0  0  0 
 20 21  1  1  0  0  0 
 22 21  1  1  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 19  1  0  0  0  0 
 19 25  1  0  0  0  0 
 20 26  1  0  0  0  0 
 21 27  1  0  0  0  0 
  2 22  1  0  0  0  0 
 28 29  1  0  0  0  0 
  1 28  1  0  0  0  0 
 30 31  1  0  0  0  0 
 16 30  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  28  29 
M  SBL   1  1  32 
M  SMT   1 ^ OCH3 
M  SBV   1  32    0.4389   -0.7602 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  30  31 
M  SBL   2  1  34 
M  SMT   2  OCH3 
M  SBV   2  34   -0.7199   -0.4157 
S  SKP  5 
ID	FL3FCBCS0001 
FORMULA	C22H22O9 
EXACTMASS	430.126382302 
AVERAGEMASS	430.40468000000004 
SMILES	c(c1C(=C4)Oc(c2)c(C(=O)4)c(c(C(O3)C(O)C(O)C(C3)O)c2OC)O)cc(OC)cc1 
M  END