Mol:FL63AGNS0007

<pre>

Copyright: ARM project http://www.metabolome.jp/
 33 36  0  0  0  0  0  0  0  0999 V2000
   -0.4966   -0.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4966   -0.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0419   -1.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5804   -0.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5804   -0.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0419    0.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1189   -1.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6575   -0.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6575   -0.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1189    0.1344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0349    0.1343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1684   -1.0933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1370    0.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6817   -0.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2264    0.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2264    0.7294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6817    1.0439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1370    0.7294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0419   -1.7307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7706    1.0436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6817    1.6722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7706   -0.2138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5731   -0.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1114    0.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5731   -0.7980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1114    0.7732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6647    1.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2181    0.7732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2181    0.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6647   -0.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7706   -0.1847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7706    1.0922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6647    1.7307    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  6  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
  3 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 15 22  1  0  0  0  0
 11 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 24  1  0  0  0  0
 29 31  1  0  0  0  0
 28 32  1  0  0  0  0
 27 33  1  0  0  0  0
S  SKP  8
ID	FL63AGNS0007
KNApSAcK_ID	C00008885
NAME	Epigallocatechin 7-O-gallate
CAS_RN	96658-18-3
FORMULA	C22H18O11
EXACTMASS	458.084911418
AVERAGEMASS	458.37172000000004
SMILES	Oc(c(O)4)cc(cc(O)4)C(=O)Oc(c1)cc(O2)c(CC(O)C2c(c3)cc(O)c(c3O)O)c(O)1
M  END

</pre>