Mol:FLII3ANS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 21 23  0  0  0  0  0  0  0  0999 V2000 
   -2.1039    0.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1039   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5476   -0.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9913   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9913    0.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5476    0.8363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4350   -0.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1213   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6774   -0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6774   -1.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2722   -1.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8670   -1.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8670   -0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2722   -0.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4612   -1.4781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4333   -1.1348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5476    1.4785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4352    0.8362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2793    0.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4612    1.1339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9613    1.9999    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 
  6 17  1  0  0  0  0 
  5 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
  1 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  20  21 
M  SBL   2  1  22 
M  SMT   2  OCH3 
M  SVB   2 22   -2.4612    1.1339 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  18  19 
M  SBL   1  1  20 
M  SMT   1  OCH3 
M  SVB   1 20   -0.4352    0.8362 
S  SKP  8 
ID	FLII3ANS0001 
KNApSAcK_ID	C00009804 
NAME	Pterofuran;6-Hydroxy-2-(3-hydroxy-2,4-dimethoxyphenyl)benzofuran 
CAS_RN	3784-75-6 
FORMULA	C16H14O5 
EXACTMASS	286.084123558 
AVERAGEMASS	286.27936 
SMILES	COc(c3)c(O)c(OC)c(c3)c(c1)oc(c2)c(ccc(O)2)1 
M  END