Mol:FLIF1LNI0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 29 32  0  0  0  0  0  0  0  0999 V2000 
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   -2.2234   -0.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.0019    0.1661    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
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  3  4  1  0  0  0  0 
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 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  31 
M  SMT   2  OCH3 
M  SVB   2 31    1.9845   -1.6904 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  26  27 
M  SBL   1  1  29 
M  SMT   1  OCH3 
M  SVB   1 29    0.7354   -1.9991 
S  SKP  8 
ID	FLIF1LNI0002 
KNApSAcK_ID	C00009574 
NAME	Rotenonic acid 
CAS_RN	70191-71-8 
FORMULA	C23H24O6 
EXACTMASS	396.1572885 
AVERAGEMASS	396.43306 
SMILES	c(c41)c(c(OC)cc(OCC(C24)Oc(c3CC=C(C)C)c(ccc3O)C2=O)1)OC 
M  END