Mol:FL5FAGGA0006

<pre>

Copyright: ARM project http://www.metabolome.jp/
 45 49  0  0  0  0  0  0  0  0999 V2000
   -2.4771    0.9474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4771    0.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -0.0162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3645    0.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3645    0.9474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    1.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8082   -0.0162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2519    0.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2519    0.9474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8082    1.2686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8082   -0.5170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4486    1.3922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0156    1.0648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5825    1.3922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5825    2.0469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0156    2.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4486    2.0469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -0.6583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1894    2.3972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9720    1.2686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0156    3.0287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1494    1.0649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0928    0.1830    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5352   -0.4010    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2708   -0.0633    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9720   -0.2901    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3403    0.3002    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7830    0.0061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4804   -0.1706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8455   -0.4345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5373   -0.7660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4678   -1.0888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1425   -1.0888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7388   -1.5581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4555   -2.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7388   -2.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3053   -2.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5885   -2.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3053   -1.5581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4562   -3.0287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5878   -3.0287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1536   -2.0487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9720   -1.0147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0442    1.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0113    0.7560    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
  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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  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
 19 15  1  0  0  0  0
 20  1  1  0  0  0  0
  4  3  1  0  0  0  0
 16 21  1  0  0  0  0
 14 22  1  0  0  0  0
 23 24  1  1  0  0  0
 24 25  1  1  0  0  0
 26 25  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 31  1  0  0  0  0
 29  8  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 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 34  1  0  0  0  0
 36 40  1  0  0  0  0
 37 41  1  0  0  0  0
 38 42  1  0  0  0  0
 26 43  1  0  0  0  0
 27 44  1  0  0  0  0
 44 45  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  44  45
M  SBL   1  1  48
M  SMT   1  CH2OH
M  SVB   1 48    2.9471   -0.3705
S  SKP  8
ID	FL5FAGGA0006
KNApSAcK_ID	C00006038
NAME	Myricetin 3-(2''-galloylgalactoside)
CAS_RN	143222-13-3
FORMULA	C28H24O17
EXACTMASS	632.101349342
AVERAGEMASS	632.47996
SMILES	O[C@@H]([C@H]4O)C(CO)O[C@@H]([C@@H]4OC(=O)c(c5)cc(O)c(O)c5O)OC(C2=O)=C(c(c3)cc(c(c3O)O)O)Oc(c12)cc(cc1O)O
M  END

</pre>