Mol:FL3FBANS0001

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FL3FBANS0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.9630    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9630   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4067   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8504   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8504    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4067    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2941   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2622   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2622    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2941    0.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2941   -1.3476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8183    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3853    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9523    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9523    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3853    1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8183    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5191    0.4378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5191    1.4197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8431   -1.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1286   -1.4198    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
  1 18  1  0  0  0  0
 15 19  1  0  0  0  0
  3 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  22
M  SMT   1 OCH3
M  SBV   1 22   -4.8497    2.6375
S  SKP  8
ID	FL3FBANS0001
KNApSAcK_ID	C00003819
NAME	Thevetiaflavone
CAS_RN	29376-68-9
FORMULA	C16H12O5
EXACTMASS	284.068473494
AVERAGEMASS	284.26348
SMILES	COc(c3)c(C(=O)2)c(cc(O)3)OC(=C2)c(c1)ccc(O)c1
M  END

</pre>

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