Mol:FL6DAGGS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 34 37  0  0  0  0  0  0  0  0999 V2000
   -2.6989   -0.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6989   -0.6981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1426   -1.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5863   -0.6981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5863   -0.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1426    0.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0300   -1.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4737   -0.6981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4737   -0.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0300    0.2654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0824    0.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6494   -0.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2163    0.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2163    0.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6494    1.2473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0824    0.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0300   -1.6614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2538    0.2646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7832    1.2472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1426   -1.7267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0098   -1.1620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6494    1.9018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7832   -0.0620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3267   -0.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0259   -1.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6044   -1.3507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1863   -1.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4872   -0.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9087   -1.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7680   -1.1447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1469   -0.7477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9213   -1.2456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5393   -1.4893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2538   -1.9018    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  1  0  0  0  0
 18  1  1  0  0  0  0
 14 19  1  0  0  0  0
  3 20  1  0  0  0  0
  8 21  1  0  0  0  0
 15 22  1  0  0  0  0
 13 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  1  0  0  0
 26 27  1  1  0  0  0
 28 27  1  1  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
 24 30  1  0  0  0  0
 29 31  1  0  0  0  0
 28 32  1  0  0  0  0
 21 25  1  0  0  0  0
 27 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  33  34
M  SBL   1  1  36
M  SMT   1 CH2OH
M  SBV   1 36   -4.2599    4.0547
S  SKP  8
ID	FL6DAGGS0001
KNApSAcK_ID	C00009020
NAME	Diospyrin
CAS_RN	27838-81-9
FORMULA	C21H24O13
EXACTMASS	484.121690854
AVERAGEMASS	484.40746
SMILES	O(C(C3c(c4)cc(O)c(O)c(O)4)C(O)c(c(O3)2)c(cc(O)c2)O)C(C(O)1)OC(CO)C(O)C1O
M  END

</pre>