Mol:FL3FECGS0010

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
   -1.2473   -0.1912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2473   -1.0162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5328   -1.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1815   -1.0162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1815   -0.1912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5328    0.2212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8959   -1.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6104   -1.0162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6104   -0.1912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8959    0.2212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8959   -2.2190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3245    0.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0526   -0.1993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7807    0.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7807    1.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0526    1.4822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3245    1.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0526    2.2190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5444    1.5028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5328   -2.1985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9601    0.2204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9601   -1.4277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8094    1.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8299    1.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3513    0.9669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3321    0.3658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2607    0.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8094    2.1127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8299    2.0920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8299    0.9988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5444    0.5863    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 
 16 18  1  0  0  0  0 
 19 15  1  0  0  0  0 
  3 20  1  0  0  0  0 
  1 21  1  0  0  0  0 
  2 22  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  1  0  0  0 
 27 26  1  1  0  0  0 
 27 23  1  0  0  0  0 
 23 28  1  0  0  0  0 
 27 21  1  0  0  0  0 
 24 29  1  0  0  0  0 
 24 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  30  31 
M  SBL   1  1  33 
M  SMT   1 CH2OH 
M  SBV   1  33    0.0000    0.5168 
S  SKP  5 
ID	FL3FECGS0010 
FORMULA	C20H18O11 
EXACTMASS	434.084911418 
AVERAGEMASS	434.35032 
SMILES	C(O)C(C1O)(COC1Oc(c2O)cc(O3)c(C(=O)C=C3c(c4)cc(c(O)c4)O)c2O)O 
M  END