Mol:FL5FCCGS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
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   -2.9749   -0.7109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2605   -1.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5460   -0.7109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5460    0.1140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2605    0.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8316   -1.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1171   -0.7109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1171    0.1140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8316    0.5265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8316   -1.8815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5971    0.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3253    0.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0535    0.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0535    1.3673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3253    1.7876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5971    1.3673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.6931   -1.1996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3253    2.4718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6319   -1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8481   -1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2500   -1.6327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2246   -2.2871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2506   -1.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8481   -1.6950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6319   -0.6184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6449    0.5008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2869    1.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2506   -2.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2869   -2.4718    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 
  3 18  1  0  0  0  0 
 19 15  1  0  0  0  0 
  8 20  1  0  0  0  0 
 16 21  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  1  0  0  0 
 26 25  1  1  0  0  0 
 26 22  1  0  0  0  0 
 23 27  1  0  0  0  0 
 22 28  1  0  0  0  0 
 24 20  1  0  0  0  0 
 29 30  1  0  0  0  0 
  1 29  1  0  0  0  0 
 31 32  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  2  29  30 
M  SBL   1  1  33 
M  SMT   1 ^ OCH3 
M  SBV   1  33    0.6699   -0.3868 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  31  32 
M  SBL   2  1  35 
M  SMT   2  CH2OH 
M  SBV   2  35    0.0000    0.5981 
S  SKP  5 
ID	FL5FCCGS0001 
FORMULA	C21H20O11 
EXACTMASS	448.100561482 
AVERAGEMASS	448.3769 
SMILES	O(C(C(=O)3)=C(Oc(c4)c3c(cc(OC)4)O)c(c2)cc(c(O)c2)O)C(C(O)1)OC(CO)C1O 
M  END