Mol:FL7AACGO0007

<pre>

Copyright: ARM project http://www.metabolome.jp/
 60 65  0  0  0  0  0  0  0  0999 V2000
   -0.6335   -0.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6335   -0.9576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0810   -1.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7954   -0.9576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7954   -0.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0810    0.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5099   -1.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2244   -0.9576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2244   -0.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5099    0.2799    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    3.0009    0.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7154   -0.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4298    0.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4298    1.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7154    1.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0009    1.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0700    1.5104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8685   -1.3295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135    0.2023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0810   -2.1327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0748   -0.0566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6032   -1.2805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3714   -0.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2835   -0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6260    0.5925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8578    0.2910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9456   -0.5296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3429   -0.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0090   -1.8303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0394   -1.3563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8908   -0.4232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9585   -1.0989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9415    0.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4948   -0.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7075   -0.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9040   -0.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3507    0.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1380    0.0198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3232    0.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4008   -0.2982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9301   -0.2347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8478   -0.8860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8903    0.8757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8032    0.8969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0897    1.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0897    2.1327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3762    0.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6627    1.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6627    2.1327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4076   -0.4839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9949   -1.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1966   -0.9894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4031   -1.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8157   -0.5015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6141   -0.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7711   -0.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2509    0.1523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8908   -0.9671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4436   -0.9395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3681   -1.6294    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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  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
 14 17  1  0  0  0  0
  8 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
 13 21  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  1  0  0  0
 25 24  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 27 28  1  0  0  0  0
 22 29  1  0  0  0  0
 23 30  1  0  0  0  0
 24 31  1  0  0  0  0
 32 28  1  0  0  0  0
 33 34  1  1  0  0  0
 34 35  1  1  0  0  0
 36 35  1  1  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 33  1  0  0  0  0
 38 39  1  0  0  0  0
 33 40  1  0  0  0  0
 34 41  1  0  0  0  0
 35 42  1  0  0  0  0
 43 39  1  0  0  0  0
 19 36  1  0  0  0  0
 44 45  2  0  0  0  0
 45 46  1  0  0  0  0
 45 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 43 48  1  0  0  0  0
 50 51  1  1  0  0  0
 51 52  1  1  0  0  0
 53 52  1  1  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 50  1  0  0  0  0
 55 56  1  0  0  0  0
 56 57  1  0  0  0  0
 50 58  1  0  0  0  0
 51 59  1  0  0  0  0
 52 60  1  0  0  0  0
 53 41  1  0  0  0  0
 25 17  1  0  0  0  0
S  SKP  8
ID	FL7AACGS0007
KNApSAcK_ID	C00014775
NAME	Cyanidin 7-(3-glucosyl-6-malonylglucoside)-4'-glucoside
CAS_RN	651768-28-4
FORMULA	C36H43O24
EXACTMASS	859.2144273040001
AVERAGEMASS	859.71222
SMILES	O(c(c2)c(O)cc(c([o+1]6)c(O)cc(c65)c(O)cc(c5)OC(C(O)3)OC(C(C3OC(O4)C(C(C(O)C4CO)O)O)O)COC(CC(O)=O)=O)c2)C(C(O)1)OC(CO)C(C1O)O
M  END

</pre>