Mol:FL5FAAGS0016

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
   -0.6298    0.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6298   -0.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0713   -1.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7724   -0.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7724    0.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0713    0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4735   -1.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1746   -0.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1746    0.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4735    0.5276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4735   -1.7227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8755    0.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5900    0.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3046    0.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3046    1.3526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5900    1.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8755    1.3526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0713   -1.7713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3307    0.5275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0189    1.7651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8935   -1.1018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3567    0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7719   -0.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9297    0.1278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1170    0.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7075    0.7273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4443    0.3384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.0189    0.2979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5196   -0.0374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2245   -0.2793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0668    0.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.0026    0.9609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5989    1.7713    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 
  1 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
  8 21  1  0  0  0  0 
 22 23  1  1  0  0  0 
 23 24  1  1  0  0  0 
 25 24  1  1  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 22  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 29  1  0  0  0  0 
 24 30  1  0  0  0  0 
 25 19  1  0  0  0  0 
 31 32  2  0  0  0  0 
 31 33  1  0  0  0  0 
 27 31  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  3  31  32  33 
M  SBL   1  1  36 
M  SMT   1 ^COOH 
M  SBV   1  36    0.6225   -0.6225 
S  SKP  5 
ID	FL5FAAGS0016 
FORMULA	C21H18O12 
EXACTMASS	462.07982604 
AVERAGEMASS	462.36042 
SMILES	c(c3)(OC(C(O)4)OC(C(O)=O)C(O)C4O)cc(c2c3O)OC(=C(C(=O)2)O)c(c1)ccc(O)c1 
M  END