Mol:FL5FCAGA0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 33 36  0  0  0  0  0  0  0  0999 V2000
   -0.1547   -4.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4780   -4.7492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976   -4.1455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2848   -3.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3479   -3.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5676   -4.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5044   -3.0498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0916   -2.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5411   -2.6692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7608   -3.2729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9976   -2.9627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9539   -2.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7299   -1.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1508   -1.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7955   -1.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0194   -1.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5986   -2.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3299   -4.0339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5209   -1.8239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9716   -0.4733    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5840   -1.1448    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3294   -0.9317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0794   -1.1448    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4671   -0.4733    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7216   -0.6863    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2445   -0.6682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9862   -0.2281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2311    0.4076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2162   -0.6730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7020   -5.3199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4681   -5.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5899   -1.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3044   -1.5310    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  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
 20 21  1  0  0  0  0
 21 22  1  1  0  0  0
 24 23  1  1  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 20 26  1  0  0  0  0
 25 27  1  0  0  0  0
 24 28  1  0  0  0  0
 21 19  1  0  0  0  0
 19  8  1  0  0  0  0
 23 22  1  1  0  0  0
 15 29  1  0  0  0  0
  1 30  1  0  0  0  0
 30 31  1  0  0  0  0
 23 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  32  33
M  SBL   2  1  35
M  SMT   2  CH2OH
M  SVB   2 35    2.5899   -1.1185
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  30  31
M  SBL   1  1  33
M  SMT   1  OCH3
M  SVB   1 33   -3.3044    0.8467
S  SKP  8
ID	FL5FCAGA0001
KNApSAcK_ID	C00005270
NAME	Rhamnocitrin 3-galactoside
CAS_RN	99878-05-4
FORMULA	C22H22O11
EXACTMASS	462.116211546
AVERAGEMASS	462.40348000000006
SMILES	c(c4)(ccc(c4)C(O2)=C(C(=O)c(c3O)c2cc(c3)OC)O[C@H](O1)C(O)C([C@H]([C@@H](CO)1)O)O)O
M  END

</pre>