Mol:FL63ACNS0014

<pre>

Copyright: ARM project http://www.metabolome.jp/
 32 35  0  0  0  0  0  0  0  0999 V2000
   -3.4361   -0.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4361   -0.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8976   -1.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3590   -0.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3590   -0.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8976    0.1223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8205   -1.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2820   -0.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2820   -0.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8205    0.1223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9743    0.1221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7710   -1.1055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8024    0.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2577   -0.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2870    0.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2870    0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2577    1.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8024    0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8852    1.0766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8976   -1.7429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4727    0.0163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4727    0.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1550    0.6925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4582    0.1673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0647    0.1673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3679    0.6925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0647    1.2178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4582    1.2178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3679    1.7429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9743    0.6925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3679   -0.3578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2577    1.6601    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
  8 12  1  1  0  0  0
  9 13  1  6  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 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
  3 20  1  0  0  0  0
 22 23  1  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
 27 29  1  0  0  0  0
 26 30  1  0  0  0  0
 25 31  1  0  0  0  0
 19 22  1  0  0  0  0
 22 21  2  0  0  0  0
 17 32  1  0  0  0  0
S  SKP  8
ID	FL63ACNS0014
KNApSAcK_ID	C00008874
NAME	Catechin 4'-O-gallate
CAS_RN	110784-23-1
FORMULA	C22H18O10
EXACTMASS	442.089996796
AVERAGEMASS	442.37232000000006
SMILES	c(c43)(cc(cc4O)O)OC(C(O)C3)c(c1)cc(O)c(OC(=O)c(c2)cc(O)c(O)c(O)2)c1
M  END

</pre>