Mol:FL5FAFGS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 35 38  0  0  0  0  0  0  0  0999 V2000
   -0.7676   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7676   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2113   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3450   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3450   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2113    0.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9013   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4576   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4576   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9013    0.1844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9013   -1.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0137    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5806   -0.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1476    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1476    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5806    1.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0137    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3237    0.1843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2113   -1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0137   -1.1002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7771    0.0889    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3347   -0.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6977   -0.2474    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0829   -0.2407    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5296    0.2061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0870   -0.0881    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.3896   -0.2647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0244   -0.5287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3326   -0.8601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8640    1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3054    2.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1476    0.8390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1476    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2865    0.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2418    1.0847    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
 21 22  1  1  0  0  0
 22 23  1  1  0  0  0
 24 23  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 24 18  1  0  0  0  0
 16 30  1  0  0  0  0
 30 31  1  0  0  0  0
 15 32  1  0  0  0  0
 32 33  1  0  0  0  0
 26 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  34  35
M  SBL   3  1  37
M  SMT   3  CH2OH
M  SVB   3 37   -3.2865    0.7892
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  32  33
M  SBL   2  1  35
M  SMT   2  OCH3
M  SVB   2 35    3.6751    1.2264
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     2.864    1.7424
S  SKP  8
ID	FL5FAFGS0001
KNApSAcK_ID	C00005618
NAME	Dillenetin 7-glucoside
CAS_RN	165460-83-3
FORMULA	C23H24O12
EXACTMASS	492.126776232
AVERAGEMASS	492.42946
SMILES	[C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c3c4O)OC(=C(C(=O)3)O)c(c2)cc(c(c2)OC)OC)CO)O)O
M  END

</pre>