Mol:FL6FA9GS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 29 32  0  0  0  0  0  0  0  0999 V2000 
   -0.4171    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4171   -0.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2975   -1.0435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0120   -0.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0120    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2975    0.6065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7265   -1.0435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4410   -0.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4410    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7265    0.6065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1555    0.6065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8759    0.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5964    0.6065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5964    1.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8759    1.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1555    1.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1316    0.6065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2941   -1.8544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8031    0.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2911   -0.0386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5538    0.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8425    0.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3595    0.7729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0045    0.4325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3456    0.3711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8611   -0.0994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8413   -0.1943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4972    0.9807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5964    1.2752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  1 17  1  0  0  0  0 
 18  3  1  0  0  0  0 
 19 20  1  1  0  0  0 
 20 21  1  1  0  0  0 
 22 21  1  1  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 19  1  0  0  0  0 
 19 25  1  0  0  0  0 
 20 26  1  0  0  0  0 
 21 27  1  0  0  0  0 
 22 17  1  0  0  0  0 
 28 29  1  0  0  0  0 
 24 28  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  28  29 
M  SBL   1  1  32 
M  SMT   1 ^CH2OH 
M  SBV   1  32    0.4927   -0.5482 
S  SKP  5 
ID	FL6FA9GS0001 
FORMULA	C21H24O8 
EXACTMASS	404.14711774399996 
AVERAGEMASS	404.41046 
SMILES	C(O1)(Oc(c4)cc(c3c4O)OC(CC3)c(c2)cccc2)C(O)C(O)C(O)C1CO 
M  END