Mol:FL5FFCGS0017

<pre>

Copyright: ARM project http://www.metabolome.jp/
 36 39  0  0  0  0  0  0  0  0999 V2000
   -0.5721   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5721   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0158   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5405   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5405   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0158    0.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0968   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6531   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6531   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0968    0.1844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0968   -1.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2092    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7761   -0.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3431    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3431    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7761    1.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2092    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1282    0.1843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0158   -1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2092   -1.1002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3431    0.8390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4499    0.1603    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0230   -0.4032    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4082   -0.1641    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8150   -0.1577    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2460    0.2734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8740    0.0479    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.9271    0.4360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6885   -0.4356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0559   -0.7555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0596    1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5011    2.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2622    0.7574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6987    1.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1093    0.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4397    1.5165    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
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
  8 20  1  0  0  0  0
 15 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
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 18  1  0  0  0  0
 16 31  1  0  0  0  0
 31 32  1  0  0  0  0
  6 33  1  0  0  0  0
 33 34  1  0  0  0  0
 27 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  35  36
M  SBL   3  1  38
M  SMT   3  CH2OH
M  SVB   3 38   -3.1093    0.7738
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  33  34
M  SBL   2  1  36
M  SMT   2  OCH3
M  SVB   2 36    0.2622    0.7574
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  31  32
M  SBL   1  1  34
M  SMT   1  OCH3
M  SVB   1 34    3.0596    1.7424
S  SKP  8
ID	FL5FFCGS0017
KNApSAcK_ID	C00005717
NAME	Limocitrin 7-glucoside
CAS_RN	119628-58-9
FORMULA	C23H24O13
EXACTMASS	508.121690854
AVERAGEMASS	508.42886
SMILES	O(c(c1)c(O)ccc1C(=C4O)Oc(c(C4=O)3)c(OC)c(cc3O)O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)C
M  END

</pre>