Mol:FL2FCAGS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 32 35  0  0  0  0  0  0  0  0999 V2000
   -1.4038    0.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4038   -0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8475   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2912   -0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2912    0.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8475    0.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2651   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8214   -0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8214    0.5976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2651    0.9188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3775    0.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9444    0.5913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5114    0.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5114    1.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9444    1.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3775    1.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2651   -0.9097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1004    1.9134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8475   -1.0081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7157   -1.1753    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3716   -1.6295    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8761   -1.4368    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3979   -1.4316    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7454   -1.0841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2516   -1.2659    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.1581   -1.1366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6964   -2.0570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5922   -1.9134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7611    1.2163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2612    2.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4305   -0.6163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3982   -0.3642    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  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
  7 17  2  0  0  0  0
 14 18  1  0  0  0  0
  3 19  1  0  0  0  0
 20 21  1  1  0  0  0
 21 22  1  1  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 19  1  0  0  0  0
  1 29  1  0  0  0  0
 29 30  1  0  0  0  0
 25 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  31  32
M  SBL   2  1  34
M  SMT   2  CH2OH
M  SVB   2 34   -2.4305   -0.6163
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  29  30
M  SBL   1  1  32
M  SMT   1  OCH3
M  SVB   1 32   -1.7611    1.2163
S  SKP  8
ID	FL2FCAGS0001
KNApSAcK_ID	C00008219
NAME	Sakuranin
CAS_RN	529-39-5
FORMULA	C22H24O10
EXACTMASS	448.136946988
AVERAGEMASS	448.41996000000006
SMILES	O(c(c32)cc(OC)cc2OC(c(c4)ccc(c4)O)CC3=O)[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O
M  END

</pre>