Mol:FL2FALNI0015

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FL2FALNI0015.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 29 31  0  0  0  0  0  0  0  0999 V2000
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    0.4036    0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6795    0.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1998    0.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1998    1.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7202    1.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6795    1.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0057    0.9253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7202    0.5128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5576    0.3186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0576    1.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
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  2 18  1  0  0  0  0
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  5 21  1  0  0  0  0
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 15 26  1  0  0  0  0
 26 27  1  0  0  0  0
  6 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  28  29
M  SBL   2  1  30
M  SMT   2  OCH3
M  SVB   2 30   -2.5576    0.3186
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  26  27
M  SBL   1  1  28
M  SMT   1  OCH3
M  SVB   1 28    2.0057    0.9253
S  SKP  8
ID	FL2FALNI0015
KNApSAcK_ID	C00008501
NAME	Kenusanone E
CAS_RN	144161-82-0
FORMULA	C22H24O7
EXACTMASS	400.152203122
AVERAGEMASS	400.42176000000006
SMILES	C(C=C(C)C)c(c31)c(cc(O)c(C(=O)CC(O3)c(c2O)c(cc(c2)OC)O)1)OC
M  END

</pre>

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