Mol:FLIF1LNI0001

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FLIF1LNI0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 29 32  0  0  0  0  0  0  0  0999 V2000 
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    0.0401    1.6031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.1527    1.6031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1849    1.6030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -3.2935   -1.6031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    4.3421   -0.3683    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  1  0  0  0  0 
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 26 27  1  0  0  0  0 
 14 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  31 
M  SMT   2  OCH3 
M  SVB   2 31     2.579   -0.5746 
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    1.3299   -0.8833 
S  SKP  8 
ID	FLIF1LNI0001 
KNApSAcK_ID	C00009573 
NAME	Myriconol 
CAS_RN	- 
FORMULA	C23H22O6 
EXACTMASS	394.141638436 
AVERAGEMASS	394.41718000000003 
SMILES	C(C42)(Oc(c(C4=O)3)cc(O)c(C=CCC=C)c3)COc(c21)cc(OC)c(OC)c1 
M  END
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