Mol:FL5FFCGL0006

<pre>

Copyright: ARM project http://www.metabolome.jp/
 35 38  0  0  0  0  0  0  0  0999 V2000
   -1.5188   -4.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8984   -4.5516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4442   -4.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6105   -3.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2309   -3.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6851   -3.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1562   -3.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3225   -2.4022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9429   -2.2359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3972   -2.6902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3274   -3.1522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1092   -1.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6463   -1.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8157   -0.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4480   -0.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9109   -0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7415   -1.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9729   -4.8394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3768   -1.9186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1086   -0.6584    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7209   -1.3298    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4664   -1.1168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2163   -1.3298    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6041   -0.6584    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8586   -0.8714    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3815   -0.8532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1274   -0.4058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3663   -1.0985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6174    0.2813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1760   -4.2634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5431   -0.6445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8231   -2.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0262   -1.7869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1667   -3.3479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9227   -2.6933    0.0000 C   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
  1 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
  3 30  1  0  0  0  0
 16 31  1  0  0  0  0
 23 32  1  0  0  0  0
 32 33  1  0  0  0  0
  6 34  1  0  0  0  0
 34 35  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    2.8231   -2.0004
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  34  35
M  SBL   1  1  37
M  SMT   1  OCH3
M  SVB   1 37   -1.9758    0.9371
S  SKP  8
ID	FL5FFCGL0006
KNApSAcK_ID	C00005705
NAME	Corniculatusin 3-glucoside
CAS_RN	85966-34-3
FORMULA	C22H22O13
EXACTMASS	494.10604078999995
AVERAGEMASS	494.40228
SMILES	O(C(C(=O)3)=C(c(c4)cc(c(O)c4)O)Oc(c23)c(OC)c(cc(O)2)O)[C@H](O1)C(O)C([C@H]([C@@H](CO)1)O)O
M  END

</pre>