Mol:FLIF1LNF0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 36  0  0  0  0  0  0  0  0999 V2000 
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   -1.2539   -0.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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  3  4  2  0  0  0  0 
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  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  4  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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  8 28  1  1  0  0  0 
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 16 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  31  32 
M  SBL   2  1  35 
M  SMT   2  OCH3 
M  SVB   2 35    1.0922   -1.7324 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  29  30 
M  SBL   1  1  33 
M  SMT   1  OCH3 
M  SVB   1 33    2.4192   -2.1046 
S  SKP  8 
ID	FLIF1LNF0001 
KNApSAcK_ID	C00002568 
NAME	Rotenone;Tubotoxin;Nicouline 
CAS_RN	83-79-4 
FORMULA	C23H22O6 
EXACTMASS	394.141638436 
AVERAGEMASS	394.41718000000003 
SMILES	[C@]([H])(C5)(Oc(c45)ccc(c41)C([C@@](c32)([C@@](COc2cc(c(c3)OC)OC)(O1)[H])[H])=O)C(C)=C 
M  END