Mol:FL3FAGCS0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 33 36  0  0  0  0  0  0  0  0999 V2000
   -2.0665   -1.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0665   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5102   -1.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9539   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9539   -1.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5102   -0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3976   -1.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1587   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1587   -1.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3976   -0.7032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3976   -2.4888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6226   -0.7033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2648    1.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8704    1.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6135    0.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6066    0.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1433    0.6876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4483    1.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6394    2.6301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9052    2.2377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2489    0.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7492   -0.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3739   -1.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9986   -0.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9986   -0.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3739    0.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7492   -0.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6226    0.3592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5102   -2.6301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3739    1.0802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6226   -1.0826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0132    1.5168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2987    1.1043    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
  1 12  1  0  0  0  0
 13 14  1  1  0  0  0
 14 15  1  1  0  0  0
 16 15  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
  6 16  1  0  0  0  0
  9 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
 25 28  1  0  0  0  0
  3 29  1  0  0  0  0
 26 30  1  0  0  0  0
 24 31  1  0  0  0  0
 18 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  32  33
M  SBL   1  1  35
M  SMT   1 CH2OH
M  SBV   1 35   -7.0310    5.5381
S  SKP  8
ID	FL3FAGCS0002
KNApSAcK_ID	C00006108
NAME	5,7,3',4',5'-Pentahydroxyflavone 8-C-glucopyranoside
CAS_RN	-
FORMULA	C21H20O12
EXACTMASS	464.095476104
AVERAGEMASS	464.37629999999996
SMILES	c(c(O)1)(C(=O)3)c(OC(c(c4)cc(O)c(O)c(O)4)=C3)c(C(C(O)2)OC(CO)C(O)C2O)c(O)c1
M  END

</pre>