Mol:FL5FGANS0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 26 28  0  0  0  0  0  0  0  0999 V2000
   -2.8930   -0.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2603   -0.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0406   -0.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4535    0.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0862    0.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3059   -0.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2338    0.8921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6467    1.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2794    1.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4991    0.6690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7406    0.9790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6921    1.7645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4682    2.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8890    2.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5337    2.7676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7577    2.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3368    1.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9382   -0.5382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083   -0.0921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9545    3.2689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4402   -1.3780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2063   -2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3047    2.3238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9626    3.2635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3518   -1.5217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9394   -0.8071    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
  6 18  1  0  0  0  0
  3 19  1  0  0  0  0
 15 20  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
  8 23  1  0  0  0  0
 23 24  1  0  0  0  0
  2 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  25  26
M  SBL   3  1  27
M  SMT   3  OCH3
M  SVB   3 27   -2.5983   -0.3996
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  23  24
M  SBL   2  1  25
M  SMT   2  OCH3
M  SVB   2 25    0.5403   -0.6973
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  23
M  SMT   1  OCH3
M  SVB   1 23    -2.241      0.77
S  SKP  8
ID	FL5FGANS0002
KNApSAcK_ID	C00004667
NAME	5,8,4'-Trihydroxy-3,6,7-trimethoxyflavone
CAS_RN	120727-34-6
FORMULA	C18H16O8
EXACTMASS	360.08451748799996
AVERAGEMASS	360.31484
SMILES	c(C(O2)=C(C(c(c3O)c2c(c(c3OC)OC)O)=O)OC)(c1)ccc(O)c1
M  END

</pre>