Mol:FLIA1LNP0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 29 32  0  0  0  0  0  0  0  0999 V2000 
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    0.1779    0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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  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 
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M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  28  29 
M  SBL   3  1  31 
M  SMT   3  OCH3 
M  SVB   3 31    2.5177   -0.2375 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  26  27 
M  SBL   2  1  29 
M  SMT   2  OCH3 
M  SVB   2 29    2.1605   -1.4736 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  24  25 
M  SBL   1  1  27 
M  SMT   1  OCH3 
M  SVB   1 27    0.0195   -1.1979 
S  SKP  8 
ID	FLIA1LNP0003 
KNApSAcK_ID	C00009444 
NAME	Barbigerone;Lonchocarpusone 
CAS_RN	75425-27-3 
FORMULA	C23H22O6 
EXACTMASS	394.141638436 
AVERAGEMASS	394.41718000000003 
SMILES	C(c(c4)c(OC)cc(OC)c4OC)(=C3)C(c(c(O3)1)ccc(O2)c(C=CC(C)(C)2)1)=O 
M  END