Mol:FLID2GNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 28  0  0  0  0  0  0  0  0999 V2000 
   -2.1831    0.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1831    0.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6268    0.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0705    0.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0705    0.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6268    1.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5142    0.0159    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.0421    0.3371    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.0421    0.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5142    1.3006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5982    0.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5982   -0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1930   -1.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7878   -0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7878    0.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1930    0.3594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5084   -0.6705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7392    0.0160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3820    0.3591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7756   -1.1857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4901   -1.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6538   -1.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5199   -1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5403    1.5982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0403    2.4642    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  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  8 11  1  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 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 11  2  0  0  0  0 
  7 17  1  0  0  0  0 
  1  2  1  0  0  0  0 
 12 17  1  0  0  0  0 
  2 18  1  0  0  0  0 
 15 19  1  0  0  0  0 
 13 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 14 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
  1 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  24  25 
M  SBL   3  1  27 
M  SMT   3  OCH3 
M  SVB   3 27   -2.5403    1.5982 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  22  23 
M  SBL   2  1  25 
M  SMT   2  OCH3 
M  SVB   2 25    2.0247    -0.877 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  20  21 
M  SBL   1  1  23 
M  SMT   1  OCH3 
M  SVB   1 23    0.7756   -1.1857 
S  SKP  8 
ID	FLID2GNS0001 
KNApSAcK_ID	C00009634 
NAME	2,8-Dihydroxy-3,9,10-trimethoxypterocarpan 
CAS_RN	76474-66-3 
FORMULA	C18H18O7 
EXACTMASS	346.10525293 
AVERAGEMASS	346.33132 
SMILES	c(c1O)c(C24)c(OC(c(c(OC4)3)cc(O)c(OC)c3)2)c(c1OC)OC 
M  END