Mol:FLNAFCNS0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
   -1.2425    1.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6862    1.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1301    1.3096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1301    0.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4466    0.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0234    0.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0234    1.3096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4466    1.6426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2425    0.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6862    0.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4466   -0.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1063   -0.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1063   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4466   -1.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9996   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9996   -0.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5997    1.6424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5521   -1.6315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4081    2.2037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0285    3.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1630    0.2092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4485   -0.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5997    1.9283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0996    2.7944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0084   -1.7912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7229   -2.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  3  1  0  0  0  0 
  1  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10  4  1  0  0  0  0 
  5 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  7 17  2  0  0  0  0 
 15 18  1  0  0  0  0 
  2 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 10 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  1 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 14 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  25  26 
M  SBL   4  1  27 
M  SMT   4  OCH3 
M  SVB   4 27    0.0084   -1.7912 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  23  24 
M  SBL   3  1  25 
M  SMT   3  OCH3 
M  SVB   3 25   -1.5997    1.9283 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  21  22 
M  SBL   2  1  23 
M  SMT   2  OCH3 
M  SVB   2 23    -1.163    0.2092 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  19  20 
M  SBL   1  1  21 
M  SMT   1  OCH3 
M  SVB   1 21   -0.4081    2.2037 
S  SKP  8 
ID	FLNAFCNS0004 
KNApSAcK_ID	C00010233 
NAME	3'-Hydroxy-5,7,8,4'-tetramethoxy-4-phenylcoumarin 
CAS_RN	131889-71-9 
FORMULA	C19H18O7 
EXACTMASS	358.10525293 
AVERAGEMASS	358.34202000000005 
SMILES	c(c1OC)(OC)cc(c(C(c(c3)cc(O)c(OC)c3)=2)c1OC(=O)C2)OC 
M  END