Mol:FL3F99NS0006

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FL3F99NS0006.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.6004    0.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6004   -0.5484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0441   -0.8696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4878   -0.5484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4878    0.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0441    0.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0685   -0.8696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6248   -0.5484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6248    0.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0685    0.4152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0685   -1.3704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1809    0.4150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7479    0.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3149    0.4150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3149    1.0697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7479    1.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1809    1.0697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3149   -0.4569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3068   -0.3299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0441   -1.8696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0441   -2.8696    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
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
  3 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  20  21
M  SBL   2  1  22
M  SMT   2  OCH3
M  SVB   2 22   -1.5594   -0.9846
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  18  19
M  SBL   1  1  20
M  SMT   1  OCH3
M  SVB   1 20   -2.3149   -0.4569
S  SKP  8
ID	FL3F99NS0006
KNApSAcK_ID	C00003793
NAME	5,6-Dimethoxyflavone
CAS_RN	33554-48-2
FORMULA	C17H14O4
EXACTMASS	282.089208936
AVERAGEMASS	282.29066
SMILES	COc(c3)c(OC)c(C(=O)2)c(c3)OC(=C2)c(c1)cccc1
M  END

</pre>

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