Mol:FL3FE9NS0006

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FL3FE9NS0006.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.6004    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6004   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0685    0.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0685   -1.3476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1809    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1809    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0441   -1.8468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3149   -0.4342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3068   -0.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9576    0.7355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4575    1.6016    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
  3 18  1  0  0  0  0
 18 19  1  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
  1 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  22  23
M  SBL   3  1  24
M  SMT   3  OCH3
M  SVB   3 24   -1.9576    0.7355
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   -2.3149   -0.4342
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   -1.4805   -1.0073
S  SKP  8
ID	FL3FE9NS0006
KNApSAcK_ID	C00003808
NAME	Baicalein 5,6,7-trimethyl ether
CAS_RN	973-67-1
FORMULA	C18H16O5
EXACTMASS	312.099773622
AVERAGEMASS	312.31664
SMILES	c(c1OC)c(O2)c(C(=O)C=C2c(c3)cccc3)c(c1OC)OC
M  END

</pre>

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