Mol:FL4DACNN0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 39 43  0  0  0  0  0  0  0  0999 V2000
   -3.3132   -0.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8138    0.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3132   -0.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8138   -1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3143   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3143   -0.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8233   -1.1285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3323   -0.8450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3323   -0.2781    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8233    0.0054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3323    0.3960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8233   -1.6716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6938    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1944    0.9688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6938    0.1331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1944   -0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3051    0.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3051    0.6707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7995    0.0418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8267   -1.6953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6417   -1.0300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1674   -1.4606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8443   -0.0714    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1775    0.3872    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8443    0.8459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8117    0.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3555    0.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8993    0.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8993    1.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3555    1.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8117    1.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4423    1.6948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5844   -0.0197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3847   -0.6192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1815    1.5503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8094   -0.4699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6063   -0.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7653    0.2534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6314   -0.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  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  2  1  0  0  0  0
  5  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  6  1  0  0  0  0
  9 11  1  1  0  0  0
  7 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 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 14  1  0  0  0  0
 15  9  1  0  0  0  0
  1 19  1  0  0  0  0
  4 20  1  0  0  0  0
  8 21  1  1  0  0  0
  8 22  1  6  0  0  0
 17 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 18  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 29 32  1  0  0  0  0
 24 33  1  6  0  0  0
 23 34  1  1  0  0  0
 14 35  1  0  0  0  0
 23 36  1  6  0  0  0
 36 37  1  0  0  0  0
 28 38  1  0  0  0  0
 38 39  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  36  37
M  SBL   2  1  40
M  SMT   2  CH2OH
M  SVB   2 40    0.8094   -0.4699
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  38  39
M  SBL   1  1  42
M  SMT   1  OCH3
M  SVB   1 42    3.0851    0.5471
S  SKP  8
ID	FL4DACNN0002
KNApSAcK_ID	C00001004
NAME	Silychristin
CAS_RN	33889-69-9
FORMULA	C25H22O10
EXACTMASS	482.121296924
AVERAGEMASS	482.43618000000004
SMILES	c(O4)(c3[C@@]([C@@](c(c5)cc(c(c5)O)OC)([H])4)([H])CO)c(cc(c3)[C@@](O1)([C@@]([H])(O)C(c(c(O)2)c1cc(O)c2)=O)[H])O
M  END

</pre>