Mol:FL2FALNI0015

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FL2FALNI0015.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 29 31  0  0  0  0  0  0  0  0999 V2000 
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   -1.6795   -1.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.6377   -1.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1168   -0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1168   -0.3001    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.6377    0.0006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4036    0.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.9379   -0.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4723    0.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4723    0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9379    0.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4036    0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6795   -1.8032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1299    0.9253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9379   -0.9242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -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 
 10  4  1  0  0  0  0 
  9 11  1  0  0  0  0 
  7 12  2  0  0  0  0 
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 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
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  2 18  1  0  0  0  0 
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 13 20  1  0  0  0  0 
  5 21  1  0  0  0  0 
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 23 25  1  0  0  0  0 
 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
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