Mol:FL5FFCGS0006

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 35 38  0  0  0  0  0  0  0  0999 V2000 
   -2.2024   -1.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2024   -2.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4879   -2.5184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7735   -2.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7735   -1.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4879   -0.8684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0590   -2.5184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6554   -2.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6554   -1.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0590   -0.8684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0590   -3.2351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3696   -0.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0978   -1.2891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8260   -0.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8260   -0.0277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0978    0.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3696   -0.0277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9166   -0.8686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4879   -3.1919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3696   -2.5183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0978    1.2332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5762    0.3818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4879   -0.0438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8834    2.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1900    1.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6156    0.8120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2783    0.2419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1019    0.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6768    1.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5342    2.5041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5762    1.8601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6388   -0.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4181    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6689    1.3216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9600    3.2351    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 
  1 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
  8 20  1  0  0  0  0 
 16 21  1  0  0  0  0 
 15 22  1  0  0  0  0 
  6 23  1  0  0  0  0 
 24 25  1  1  0  0  0 
 25 26  1  1  0  0  0 
 27 26  1  1  0  0  0 
 27 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
 29 24  1  0  0  0  0 
 24 30  1  0  0  0  0 
 25 31  1  0  0  0  0 
 26 32  1  0  0  0  0 
 23 27  1  0  0  0  0 
 33 34  2  0  0  0  0 
 33 35  1  0  0  0  0 
 29 33  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  3  33  34  35 
M  SBL   1  1  38 
M  SMT   1  COOH 
M  SBV   1  38   -0.2587   -0.8096 
S  SKP  5 
ID	FL5FFCGS0006 
FORMULA	C21H18O14 
EXACTMASS	494.06965528399996 
AVERAGEMASS	494.35922 
SMILES	C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c(O)3)c(c(c(c3)O)1)OC(c(c2)cc(c(O)c2)O)=C(C1=O)O)O)O 
M  END