Mol:FL63AGNS0009

<pre>

Copyright: ARM project http://www.metabolome.jp/
 44 48  0  0  0  0  0  0  0  0999 V2000
   -1.1792    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1792    0.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6407    0.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1022    0.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1022    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6407    1.3316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4363    0.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9749    0.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9749    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4363    1.3316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7175    1.3315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4544    1.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9991    0.9831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5438    1.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5438    1.9265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9991    2.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4544    1.9265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6407   -0.5336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9991    2.8694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3968   -0.1510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3989   -0.8355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9320   -1.3025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1365   -1.9248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6819   -2.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2273   -1.9248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2273   -1.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6819   -0.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1365   -1.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7727   -0.9801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7727   -2.2396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6819   -2.8694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0880    2.2407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0880    0.9834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2951   -0.9114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1410   -1.4866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8824   -0.9114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1976   -0.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8278   -0.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1430   -0.9114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8278   -1.4572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1976   -1.4572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1427    0.1798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7727   -0.9114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1427   -2.0026    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
  1 11  1  0  0  0  0
  9 12  1  6  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
 16 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 26 29  1  0  0  0  0
 25 30  1  0  0  0  0
 28 21  1  0  0  0  0
 24 31  1  0  0  0  0
  8 20  1  6  0  0  0
 15 32  1  0  0  0  0
 14 33  1  0  0  0  0
 18 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 36  1  0  0  0  0
 38 42  1  0  0  0  0
 39 43  1  0  0  0  0
 40 44  1  0  0  0  0
S  SKP  8
ID	FL63AGNS0009
KNApSAcK_ID	C00008887
NAME	Epigallocatechin 3,5,-di-O-gallate
CAS_RN	37484-73-4
FORMULA	C29H22O15
EXACTMASS	610.095870034
AVERAGEMASS	610.4759799999999
SMILES	C(c32)C(C(c(c5)cc(c(c5O)O)O)Oc(cc(cc3OC(c(c4)cc(c(c4O)O)O)=O)O)2)OC(c(c1)cc(c(c1O)O)O)=O
M  END

</pre>