Mol:FL7DCANS0001

Untitled ACS Document 1996-8 
  ChemDraw12031210252D 
 
 20 22  0  0  0  0  0  0  0  0999 V2000 
   -0.7144    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7144   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0000    0.6188    0.0000 O   0  3  0  0  0  4  0  0  0  0  0  0 
   -1.4290    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4290   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0000   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7145    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1434    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1434   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4290   -1.8562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7145   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4290    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8579    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4290    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1434    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5723    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1434    1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8579    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8579    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5723    1.8562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0 
  1  3  1  0 
  1  4  2  0 
  2  5  2  0 
  2  6  1  0 
  3  7  2  0 
  4  8  1  0 
  5  9  1  0 
  5 10  1  0 
  6 11  2  0 
  7 11  1  0 
  7 12  1  0 
  8  9  2  0 
  8 13  1  0 
 12 14  1  0 
 12 15  2  0 
 13 16  1  0 
 14 17  2  0 
 15 18  1  0 
 17 19  1  0 
 18 19  2  0 
 19 20  1  0 
M  CHG  1   3   1 
S  SKP  5 
ID	FL7DCANS0001 
FORMULA	C16H13O4 
EXACTMASS	269.081383904 
AVERAGEMASS	269.27202 
SMILES	COc(c1)cc([o+1]2)c(ccc2c(c3)ccc(O)c3)c(O)1 
M  END