Mol:FLII1ANI0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
   -2.6981    0.4493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6981   -0.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1418   -0.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5855   -0.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5855    0.4493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1418    0.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0292   -0.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4729   -0.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0832   -0.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0832   -1.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6780   -1.5443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2728   -1.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2728   -0.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6780   -0.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8670   -1.5439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0275   -1.2007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0294    0.7704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8670   -0.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8670    0.5151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4612    0.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4612    1.5443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0554    0.5151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0554    1.0681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5554    1.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1949    0.3800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2416    1.2797    0.0000 C   0  0  0  0  0  0  0  0  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  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14  9  2  0  0  0  0 
  1  2  1  0  0  0  0 
 12 15  1  0  0  0  0 
  7 16  1  0  0  0  0 
 10 16  1  0  0  0  0 
  5 17  1  0  0  0  0 
 13 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
 20 21  1  0  0  0  0 
 20 22  1  0  0  0  0 
  1 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
  8 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  25  26 
M  SBL   2  1  27 
M  SMT   2  OCH3 
M  SVB   2 27   -0.1949      0.38 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  23  24 
M  SBL   1  1  25 
M  SMT   1  OCH3 
M  SVB   1 25   -3.0554    1.0681 
S  SKP  8 
ID	FLII1ANI0001 
KNApSAcK_ID	C00009809 
NAME	Ambofuranol;6-Hydroxy-2-(2-hydroxy-4-methoxyphenyl)-3-methoxy-5-prenylbenzofuran 
CAS_RN	76869-00-6 
FORMULA	C21H22O5 
EXACTMASS	354.146723814 
AVERAGEMASS	354.39638 
SMILES	O(C)c(c23)c(oc(cc(O)c(c3)CC=C(C)C)2)c(c1)c(cc(OC)c1)O 
M  END