Mol:FL7AAAGL0016

<pre>

Copyright: ARM project http://www.metabolome.jp/
 37 40  0  0  0  0  0  0  0  0999 V2000
   -3.7044    1.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7044    0.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1481    0.0918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5918    0.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5918    1.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1481    1.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0355    0.0918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4792    0.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4792    1.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0355    1.3766    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
   -0.9231    1.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3561    1.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2109    1.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2109    2.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3561    2.3585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9231    2.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2605    1.3764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7777    2.3584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1481   -0.5503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0631   -0.3077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4398   -0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715   -0.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6873   -0.6486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2063   -0.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4746   -0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9587   -0.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0584   -0.4649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1004    0.0499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8817   -0.3315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7559   -0.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9541   -1.3596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5291   -1.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5291   -2.3585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1066   -1.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6841   -1.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2605   -1.3588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6841   -2.3571    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
  1 17  1  0  0  0  0
 14 18  1  0  0  0  0
  3 19  1  0  0  0  0
 20  8  1  0  0  0  0
 21 22  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 21  1  0  0  0  0
 21 27  1  0  0  0  0
 26 28  1  0  0  0  0
 25 29  1  0  0  0  0
 22 20  1  0  0  0  0
 24 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
S  SKP  8
ID	FL7AAAGL0016
KNApSAcK_ID	C00006755
NAME	Pelargonidin 3-(6''-malonylglucoside)
CAS_RN	165070-68-8
FORMULA	C24H23O13
EXACTMASS	519.113865822
AVERAGEMASS	519.43162
SMILES	O=C(CC(O)=O)OCC(C(O)4)OC(C(C(O)4)O)Oc(c2c(c3)ccc(c3)O)cc(c1O)c([o+1]2)cc(c1)O
M  END

</pre>