Mol:FL3FA9NC0004

Latest revision as of 09:00, 14 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
   -4.7018    0.0504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0692    0.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8496    0.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2624    1.2576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.8950    1.1461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.1148    0.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0428    1.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4556    2.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.0882    2.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.3080    1.6382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5495    1.9482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.5010    2.7337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.2771    3.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.6979    3.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.3426    3.7368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.5666    3.1215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.1457    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6565   -0.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8786   -0.9402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4612   -1.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8215   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5993   -0.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0169   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0278   -0.6138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6831   -2.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9095   -2.0395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4971   -1.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.2491   -0.4088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.0152   -1.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6156    0.3637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3335    1.1389    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  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  2 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 18  2  0  0  0  0 
 22 24  2  0  0  0  0 
 20 25  1  0  0  0  0 
 21 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
  1 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
  3 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  30  31 
M  SBL   3  1  33 
M  SMT   3  OCH3 
M  SVB   3 33     -0.64   -0.5166 
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   -1.1171    1.2262 
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   -3.1554   -0.9174 
S  SKP  8 
ID	FL3FA9NC0004 
KNApSAcK_ID	C00004108 
NAME	Oppositin 
CAS_RN	151590-48-6 
FORMULA	C24H20O7 
EXACTMASS	420.120902994 
AVERAGEMASS	420.41139999999996 
SMILES	c(c3)(c(C(O4)=CC(C(OC)=C4C)=O)c(c(c23)C(C=C(O2)c(c1)cccc1)=O)OC)OC 
M  END